CHEBI CHEBI:45571
structure data: InChI%3D1S%2FC7H14O2%2Fc1-2-3-4-5-6-7%288%299%2Fh2-6H2%2C1H3%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure145361
structure data: <atom id="CPD1G-772-atom1" elementType="C" x2="-47070.0" y2="-17384.0"/> <atom id="CPD1G-772-atom2" elementType="C" x2="-39925.0" y2="-13259.0"/> <atom id="CPD1G-772-atom3" elementType="C" x2="-32780.0" y2="-17384.0"/> <atom id="CPD1G-772-atom4" elementType="C" x2="-25635.0" y2="-13259.0"/> <atom id="CPD1G-772-atom5" elementType="C" x2="-18491.0" y2="-17384.0"/> <atom id="CPD1G-772-atom6" elementType="C" x2="-11346.0" y2="-13259.0"/> <atom id="CPD1G-772-atom7" elementType="C" x2="-4201.0" y2="-17384.0"/> <atom id="CPD1G-772-atom8" elementType="C" x2="2943.0" y2="-13259.0"/> <atom id="CPD1G-772-atom9" elementType="C" x2="10088.0" y2="-17384.0"/> <atom id="CPD1G-772-atom10" elementType="C" x2="17233.0" y2="-13259.0"/> <atom id="CPD1G-772-atom11" elementType="C" x2="24378.0" y2="-17384.0"/> <atom id="CPD1G-772-atom12" elementType="C" x2="31522.0" y2="-13259.0"/> <atom id="CPD1G-772-atom13" elementType="C" x2="38667.0" y2="-17384.0"/> <atom id="CPD1G-772-atom14" elementType="C" x2="45812.0" y2="-13259.0"/> <atom id="CPD1G-772-atom15" elementType="C" x2="52956.0" y2="-17384.0"/> <atom id="CPD1G-772-atom16" elementType="C" x2="60101.0" y2="-13259.0"/> <atom id="CPD1G-772-atom17" elementType="C" x2="67246.0" y2="-17384.0"/> <atom id="CPD1G-772-atom18" elementType="C" x2="81536.0" y2="-17384.0"/> <atom id="CPD1G-772-atom19" elementType="C" x2="88680.0" y2="-13259.0"/> <atom id="CPD1G-772-atom20" elementType="C" x2="95825.0" y2="-17384.0"/> <atom id="CPD1G-772-atom21" elementType="C" x2="102969.0" y2="-13259.0"/> <atom id="CPD1G-772-atom22" elementType="C" x2="110114.0" y2="-17384.0"/> <atom id="CPD1G-772-atom23" elementType="C" x2="117260.0" y2="-13259.0"/> <atom id="CPD1G-772-atom24" elementType="C" x2="124403.0" y2="-17384.0"/> <atom id="CPD1G-772-atom25" elementType="C" x2="131548.0" y2="-13259.0"/> <atom id="CPD1G-772-atom26" elementType="C" x2="146141.0" y2="-15823.0"/> <atom id="CPD1G-772-atom27" elementType="C" x2="166977.0" y2="-21509.0"/> <atom id="CPD1G-772-atom28…

biopax-level3ChemicalStructure142515
structure data: <atom id="Chondroitin-sulfate-disaccharides-atom1" elementType="O" x2="-22568.0" y2="-50827.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom2" elementType="C" x2="-29713.0" y2="-46702.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom3" elementType="C" x2="-29713.0" y2="-38452.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom4" elementType="C" x2="-22568.0" y2="-34327.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom5" elementType="C" x2="-15424.0" y2="-38452.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom6" elementType="C" x2="-15424.0" y2="-46702.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom7" elementType="O" x2="-22568.0" y2="-22820.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom8" elementType="C" x2="-31892.0" y2="-13845.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom9" elementType="O" x2="-39036.0" y2="-17970.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom10" elementType="C" x2="-46181.0" y2="-13845.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom11" elementType="C" x2="-46181.0" y2="-5595.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom12" elementType="C" x2="-39036.0" y2="-1470.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom13" elementType="C" x2="-31892.0" y2="-5595.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom14" elementType="O" x2="-8279.0" y2="-50827.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom15" elementType="N" x2="-8279.0" y2="-34327.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom16" elementType="O" x2="-24747.0" y2="-1470.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom17" elementType="O" x2="-53326.0" y2="-1470.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom18" elementType="C" x2="-53326.0" y2="-17970.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom19" elementType="O" x2="-39036.0" y2="6780.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom20" elementType="O" x2="-36858.0" y2="-34327.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom21" elemen…

CHEBI CHEBI:16256
structure data: InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)

CHEBI CHEBI:29374
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi%2FhT2

CHEBI CHEBI:17130
structure data: InChI%3D1S%2FC10H18O3%2Fc11-9-7-5-3-1-2-4-6-8-10%2812%2913%2Fh9H%2C1-8H2%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure138708
structure data: <atom id="PICOLINATE-atom1" elementType="C" x2="56250.0" y2="52860.0"/> <atom id="PICOLINATE-atom2" elementType="C" x2="-10840.0" y2="4070.0"/> <atom id="PICOLINATE-atom3" elementType="N" x2="-84710.0" y2="35920.0"/> <atom id="PICOLINATE-atom4" elementType="O" x2="46760.0" y2="134180.0"/> <atom id="PICOLINATE-atom5" elementType="O" x2="130110.0" y2="21010.0" formalCharge="-1"/> <atom id="PICOLINATE-atom6" elementType="C" x2="-153150.0" y2="-11520.0"/> <atom id="PICOLINATE-atom7" elementType="C" x2="-2710.0" y2="-79290.0"/> <atom id="PICOLINATE-atom8" elementType="C" x2="-143670.0" y2="-92160.0"/> <atom id="PICOLINATE-atom9" elementType="C" x2="-68440.0" y2="-126050.0"/> <bond id="PICOLINATE-bond1" atomRefs="PICOLINATE-atom2 PICOLINATE-atom1" order="1"/> <bond id="PICOLINATE-bond2" atomRefs="PICOLINATE-atom3 PICOLINATE-atom2" order="2"/> <bond id="PICOLINATE-bond3" atomRefs="PICOLINATE-atom4 PICOLINATE-atom1" order="2"/> <bond id="PICOLINATE-bond4" atomRefs="PICOLINATE-atom5 PICOLINATE-atom1" order="1"/> <bond id="PICOLINATE-bond5" atomRefs="PICOLINATE-atom6 PICOLINATE-atom3" order="1"/> <bond id="PICOLINATE-bond6" atomRefs="PICOLINATE-atom2 PICOLINATE-atom7" order="1"/> <bond id="PICOLINATE-bond7" atomRefs="PICOLINATE-atom9 PICOLINATE-atom8" order="1"/> <bond id="PICOLINATE-bond8" atomRefs="PICOLINATE-atom7 PICOLINATE-atom9" order="2"/> <bond id="PICOLINATE-bond9" atomRefs="PICOLINATE-atom8 PICOLINATE-atom6" order="2"/> <formula concise="H 4 O 2 N 1 C 6"/> 122.103 C1(=CC=CC(=N1)C([O-])=O)

biopax-level3ChemicalStructure141315
structure data: <cml> <molecule id="Phytoceramides" title="a phytoceramide" formalCharge="0"> <atomArray> <atom id="Phytoceramides-atom1" elementType="C" x2="-2564.0" y2="-615385.0"/> <atom id="Phytoceramides-atom2" elementType="N" x2="774359.0" y2="-807692.0"/> <atom id="Phytoceramides-atom3" elementType="C" x2="220513.0" y2="-615385.0"/> <atom id="Phytoceramides-atom4" elementType="O" x2="887180.0" y2="-1000000.0"/> <atom id="Phytoceramides-atom5" elementType="C" x2="441026.0" y2="-615385.0"/> <atom id="Phytoceramides-atom6" elementType="O" x2="664103.0" y2="-487179.0"/> <atom id="Phytoceramides-atom7" elementType="C" x2="664103.0" y2="-615385.0"/> <atom id="Phytoceramides-atom8" elementType="C" x2="887180.0" y2="-615385.0"/> <atom id="Phytoceramides-atom9" elementType="C" x2="-1000000.0" y2="-679487.0"/> <atom id="Phytoceramides-atom10" elementType="C" x2="-889744.0" y2="-615385.0"/> <atom id="Phytoceramides-atom11" elementType="C" x2="-779487.0" y2="-679487.0"/> <atom id="Phytoceramides-atom12" elementType="C" x2="-669231.0" y2="-615385.0"/> <atom id="Phytoceramides-atom13" elementType="C" x2="-556410.0" y2="-679487.0"/> <atom id="Phytoceramides-atom14" elementType="C" x2="-446154.0" y2="-615385.0"/> <atom id="Phytoceramides-atom15" elementType="C" x2="-335897.0" y2="-679487.0"/> <atom id="Phytoceramides-atom16" elementType="C" x2="-223077.0" y2="-615385.0"/> <atom id="Phytoceramides-atom17" elementType="C" x2="-112821.0" y2="-679487.0"/> <atom id="Phytoceramides-atom18" elementType="O" x2="553846.0" y2="-787179.0"/> <atom id="Phytoceramides-atom19" elementType="C" x2="107692.0" y2="-679487.0"/> <atom id="Phytoceramides-atom20" elementType="C" x2="887180.0" y2="-871795.0"/> <atom id="Phytoceramides-atom21" elementType="C" x2="330769.0" y2="-679487.0"/> <atom id="Phytoceramides-atom22" elementType="R" x2="997436.0" y2="-807692.0"/> <atom id="Phytoceramides-atom23" elementType="C" x2="553846.0" y2="-679487.0"/> <atom id="Phytoceramides-atom24" elementType="C" x2="774359.0" y2="-6…

CHEBI CHEBI:35962
structure data: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)

CHEBI CHEBI:207496
structure data: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

CHEBI CHEBI:17790
structure data: InChI%3D1S%2FCH4O%2Fc1-2%2Fh2H%2C1H3

CHEBI CHEBI:27530
structure data: InChI%3D1S%2FC6H10O4%2Fc1-2-4%287%293-5%288%296%289%2910%2Fh4%2C7H%2C2-3H2%2C1H3%2C%28H%2C9%2C10%29

CHEBI CHEBI:16696
structure data: InChI%3D1S%2FC4H11NS%2Fc1-6-4-2-3-5%2Fh2-5H2%2C1H3

CHEBI CHEBI:59688
structure data: InChI%3D1S%2FC17H25NO3%2Fc1-18%282%2912-13-21-16%2819%2915%2814-8-4-3-5-9-14%2917%2820%2910-6-7-11-17%2Fh3-5%2C8-9%2C15%2C20H%2C6-7%2C10-13H2%2C1-2H3%2Ft15-%2Fm0%2Fs1

biopax-level3ChemicalStructure166239
structure data: <atom id="CPD-7658-atom1" elementType="C" x2="-5625.0" y2="-8875.0"/> <atom id="CPD-7658-atom2" elementType="C" x2="-12770.0" y2="-4750.0"/> <atom id="CPD-7658-atom3" elementType="C" x2="-12770.0" y2="3500.0"/> <atom id="CPD-7658-atom4" elementType="C" x2="-5625.0" y2="7625.0"/> <atom id="CPD-7658-atom5" elementType="C" x2="1520.0" y2="3500.0"/> <atom id="CPD-7658-atom6" elementType="C" x2="1520.0" y2="-4750.0"/> <atom id="CPD-7658-atom7" elementType="C" x2="-5625.0" y2="-17124.0"/> <atom id="CPD-7658-atom8" elementType="C" x2="1520.0" y2="-21249.0"/> <atom id="CPD-7658-atom9" elementType="C" x2="9001.0" y2="-17772.0"/> <atom id="CPD-7658-atom10" elementType="N" x2="1155.0" y2="-29491.0" formalCharge="1"/> <bond id="CPD-7658-bond1" atomRefs="CPD-7658-atom8 CPD-7658-atom10" order="1"/> <bond id="CPD-7658-bond2" atomRefs="CPD-7658-atom8 CPD-7658-atom9" order="1"/> <bond id="CPD-7658-bond3" atomRefs="CPD-7658-atom7 CPD-7658-atom8" order="1"/> <bond id="CPD-7658-bond4" atomRefs="CPD-7658-atom1 CPD-7658-atom7" order="1"/> <bond id="CPD-7658-bond5" atomRefs="CPD-7658-atom6 CPD-7658-atom5" order="1"/> <bond id="CPD-7658-bond6" atomRefs="CPD-7658-atom5 CPD-7658-atom4" order="2"/> <bond id="CPD-7658-bond7" atomRefs="CPD-7658-atom4 CPD-7658-atom3" order="1"/> <bond id="CPD-7658-bond8" atomRefs="CPD-7658-atom3 CPD-7658-atom2" order="2"/> <bond id="CPD-7658-bond9" atomRefs="CPD-7658-atom1 CPD-7658-atom6" order="2"/> <bond id="CPD-7658-bond10" atomRefs="CPD-7658-atom2 CPD-7658-atom1" order="1"/> <formula concise="H 14 N 1 C 9"/> 136.216 CC(CC1(C=CC=CC=1))[N+]

biopax-level3ChemicalStructure166435
structure data: <atom id="CPD-11876-atom1" elementType="C" x2="0.0" y2="-2652.0"/> <atom id="CPD-11876-atom2" elementType="C" x2="-7145.0" y2="1473.0"/> <atom id="CPD-11876-atom3" elementType="C" x2="-7145.0" y2="9723.0"/> <atom id="CPD-11876-atom4" elementType="C" x2="0.0" y2="13848.0"/> <atom id="CPD-11876-atom5" elementType="C" x2="7145.0" y2="9723.0"/> <atom id="CPD-11876-atom6" elementType="C" x2="7145.0" y2="1473.0"/> <atom id="CPD-11876-atom7" elementType="O" x2="0.0" y2="22098.0"/> <atom id="CPD-11876-atom8" elementType="O" x2="-14289.0" y2="13848.0"/> <atom id="CPD-11876-atom9" elementType="C" x2="-21262.0" y2="9438.0"/> <atom id="CPD-11876-atom10" elementType="C" x2="0.0" y2="-10902.0"/> <atom id="CPD-11876-atom11" elementType="C" x2="7145.0" y2="-15027.0"/> <atom id="CPD-11876-atom12" elementType="O" x2="-7145.0" y2="-15027.0"/> <atom id="CPD-11876-atom13" elementType="O" x2="7145.0" y2="-23277.0"/> <bond id="CPD-11876-bond1" atomRefs="CPD-11876-atom1 CPD-11876-atom2" order="2"/> <bond id="CPD-11876-bond2" atomRefs="CPD-11876-atom2 CPD-11876-atom3" order="1"/> <bond id="CPD-11876-bond3" atomRefs="CPD-11876-atom3 CPD-11876-atom4" order="2"/> <bond id="CPD-11876-bond4" atomRefs="CPD-11876-atom4 CPD-11876-atom5" order="1"/> <bond id="CPD-11876-bond5" atomRefs="CPD-11876-atom5 CPD-11876-atom6" order="2"/> <bond id="CPD-11876-bond6" atomRefs="CPD-11876-atom1 CPD-11876-atom6" order="1"/> <bond id="CPD-11876-bond7" atomRefs="CPD-11876-atom4 CPD-11876-atom7" order="1"/> <bond id="CPD-11876-bond8" atomRefs="CPD-11876-atom3 CPD-11876-atom8" order="1"/> <bond id="CPD-11876-bond9" atomRefs="CPD-11876-atom8 CPD-11876-atom9" order="1"/> <bond id="CPD-11876-bond10" atomRefs="CPD-11876-atom1 CPD-11876-atom10" order="1"/> <bond id="CPD-11876-bond11" atomRefs="CPD-11876-atom10 CPD-11876-atom11" order="1"/> <bond id="CPD-11876-bond12" atomRefs="CPD-11876-atom10 CPD-11876-atom12" order="1"/> <bond id="CPD-11876-bond13" atomRefs="CPD-11876-atom11 CPD-11876-atom13" order="2"/> <formula concis…

CHEBI CHEBI:17224
structure data: InChI%3D1S%2FC10H8O3%2Fc1-6-4-10%2812%2913-9-5-7%2811%292-3-8%286%299%2Fh2-5%2C11H%2C1H3

CHEBI CHEBI:28790
structure data: InChI%3D1S%2FC10H12N2O%2Fc11-4-3-7-6-12-10-2-1-8%2813%295-9%287%2910%2Fh1-2%2C5-6%2C12-13H%2C3-4%2C11H2

biopax-level3ChemicalStructure157498
structure data: <atom id="CPD-11578-atom1" elementType="O" x2="59868.0" y2="-16183.0"/> <atom id="CPD-11578-atom2" elementType="O" x2="46286.0" y2="-20622.0"/> <atom id="CPD-11578-atom3" elementType="N" x2="38597.0" y2="16183.0"/> <atom id="CPD-11578-atom4" elementType="C" x2="30791.0" y2="5418.0"/> <atom id="CPD-11578-atom5" elementType="C" x2="30791.0" y2="13668.0"/> <atom id="CPD-11578-atom6" elementType="C" x2="38597.0" y2="2904.0"/> <atom id="CPD-11578-atom7" elementType="C" x2="43412.0" y2="9543.0"/> <atom id="CPD-11578-atom8" elementType="C" x2="23645.0" y2="1293.0"/> <atom id="CPD-11578-atom9" elementType="C" x2="23645.0" y2="17793.0"/> <atom id="CPD-11578-atom10" elementType="C" x2="41159.0" y2="-4938.0"/> <atom id="CPD-11578-atom11" elementType="C" x2="16500.0" y2="5418.0"/> <atom id="CPD-11578-atom12" elementType="C" x2="16500.0" y2="13668.0"/> <atom id="CPD-11578-atom13" elementType="C" x2="49232.0" y2="-6639.0"/> <atom id="CPD-11578-atom14" elementType="C" x2="51795.0" y2="-14482.0"/> <bond id="CPD-11578-bond1" atomRefs="CPD-11578-atom1 CPD-11578-atom14" order="1"/> <bond id="CPD-11578-bond2" atomRefs="CPD-11578-atom2 CPD-11578-atom14" order="2"/> <bond id="CPD-11578-bond3" atomRefs="CPD-11578-atom3 CPD-11578-atom5" order="1"/> <bond id="CPD-11578-bond4" atomRefs="CPD-11578-atom3 CPD-11578-atom7" order="1"/> <bond id="CPD-11578-bond5" atomRefs="CPD-11578-atom4 CPD-11578-atom5" order="1"/> <bond id="CPD-11578-bond6" atomRefs="CPD-11578-atom4 CPD-11578-atom6" order="1"/> <bond id="CPD-11578-bond7" atomRefs="CPD-11578-atom4 CPD-11578-atom8" order="2"/> <bond id="CPD-11578-bond8" atomRefs="CPD-11578-atom5 CPD-11578-atom9" order="2"/> <bond id="CPD-11578-bond9" atomRefs="CPD-11578-atom6 CPD-11578-atom7" order="2"/> <bond id="CPD-11578-bond10" atomRefs="CPD-11578-atom6 CPD-11578-atom10" order="1"/> <bond id="CPD-11578-bond11" atomRefs="CPD-11578-atom8 CPD-11578-atom11" order="1"/> <bond id="CPD-11578-bond12" atomRefs="CPD-11578-atom9 CPD-11578-atom12" order="1"/> <bond id="C…

CHEBI CHEBI:7896
structure data: InChI%3D1S%2FC16H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2817%2918%2Fh2-15H2%2C1H3%2C%28H%2C17%2C18%29%2Fp-1

biopax-level3ChemicalStructure151007
structure data: <cml> <molecule id="Heparan-sulfate-3-N-disulfate" title="[heparan sulfate]-alpha-D-N-sulfoglucosamine-3-O-sulfate" formalCharge="-2" dictRef="dictHeparan-sulfate-3-N-disulfate"> <atomArray> <atom id="Heparan-sulfate-3-N-disulfate-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom15" elementType="S" x2="-25929.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom16" elementType="O" x2="-25929.0" y2="30643.0" formalCharge="-1"/> <atom id="Heparan-sulfate-3-N-disulfate-atom17" elementType="O" x2="-17679.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom18" elementType="O" x2="-34179.0" y2="22393.0"/> <atom id="Heparan-sulfate-3-N-disulfate-atom19" elementType="S" x2="-4700.0" y2="7602.0"/> <atom id="Heparan-sulfate-3-N-disu…

CHEBI CHEBI:48942
structure data: InChI%3D1S%2FC5H10O2%2Fc1-4%282%293-5%286%297%2Fh4H%2C3H2%2C1-2H3%2C%28H%2C6%2C7%29%2Fp-1

CHEBI CHEBI:34295
structure data: InChI%3D1S%2FC17H34O3%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2820-2%2917%2818%2919%2Fh16H%2C3-15H2%2C1-2H3%2C%28H%2C18%2C19%29

CHEBI CHEBI:30245
structure data: InChI%3D1S%2FC18H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh6-7%2C9-10H%2C2-5%2C8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb7-6-%2C10-9-

biopax-level3ChemicalStructure171153
structure data: <cml> <molecule id="Thyroglobulin-aminoacrylates" title="[thyroglobulin]-aminoacrylate" formalCharge="0" dictRef="dictThyroglobulin-aminoacrylates"> <atomArray> <atom id="Thyroglobulin-aminoacrylates-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-aminoacrylates-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-aminoacrylates-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-aminoacrylates-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-aminoacrylates-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-aminoacrylates-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-aminoacrylates-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-aminoacrylates-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-aminoacrylates-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-aminoacrylates-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> </atomArray> <bondArray> <bond id="Thyroglobulin-aminoacrylates-bond1" atomRefs="Thyroglobulin-aminoacrylates-atom1 Thyroglobulin-aminoacrylates-atom2" order="1"/> <bond id="Thyroglobulin-aminoacrylates-bond2" atomRefs="Thyroglobulin-aminoacrylates-atom2 Thyroglobulin-aminoacrylates-atom3" order="1"/> <bond id="Thyroglobulin-aminoacrylates-bond3" atomRefs="Thyroglobulin-aminoacrylates-atom3 Thyroglobulin-aminoacrylates-atom4" order="1"/> <bond id="Thyroglobulin-aminoacrylates-bond4" atomRefs="Thyroglobulin-aminoacrylates-atom4 Thyroglobulin-aminoacrylates-atom5" order="2"/> <bond id="Thyroglobulin-aminoacrylates-bond5" atomRefs="Thyroglobulin-aminoacrylates-atom3 Thyroglobulin-aminoacrylates-atom6" order="2"/> <bond id="Thyroglobulin-aminoacrylates-bond6" atomRefs="Thyroglobulin-aminoacrylates-atom4 Thyroglobulin-aminoacrylates-atom7" order="1"/> <bond id="Thyroglobulin-aminoacrylates-bond7" atomR…

CHEBI CHEBI:34230
structure data: InChI%3D1S%2FC18H30O5%2Fc1-2-3-4-7-13%2819%2910-11-15-14%2816%2820%2912-17%2815%2921%298-5-6-9-18%2822%2923%2Fh5-6%2C10-11%2C13-17%2C19-21H%2C2-4%2C7-9%2C12H2%2C1H3%2C%28H%2C22%2C23%29%2Fb6-5-%2C11-10%2B%2Ft13-%2C14-%2C15%2B%2C16-%2C17%2B%2Fm0%2Fs1

CHEBI CHEBI:60075
structure data: InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3%2Ft14-%2Fm0%2Fs1

CHEBI CHEBI:16581
structure data: InChI%3D1S%2FC21H32O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4%2C15-19%2C23H%2C5-12H2%2C1-3H3%2Ft15-%2C16-%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure144308
structure data: <cml> <molecule id="Heparan-NAc-Glc-6S" title="[heparan sulfate]-alpha-N-acetyl-D-glucosamine-6-O-sulfate" formalCharge="-1" dictRef="dictHeparan-NAc-Glc-6S"> <atomArray> <atom id="Heparan-NAc-Glc-6S-atom1" elementType="O" x2="-259290.0" y2="-106070.0"/> <atom id="Heparan-NAc-Glc-6S-atom2" elementType="C" x2="-330730.0" y2="-64820.0"/> <atom id="Heparan-NAc-Glc-6S-atom3" elementType="C" x2="-330730.0" y2="17680.0"/> <atom id="Heparan-NAc-Glc-6S-atom4" elementType="C" x2="-259290.0" y2="58930.0"/> <atom id="Heparan-NAc-Glc-6S-atom5" elementType="C" x2="-187840.0" y2="17680.0"/> <atom id="Heparan-NAc-Glc-6S-atom6" elementType="C" x2="-187840.0" y2="-64820.0"/> <atom id="Heparan-NAc-Glc-6S-atom7" elementType="O" x2="-116390.0" y2="-106070.0"/> <atom id="Heparan-NAc-Glc-6S-atom8" elementType="N" x2="-129500.0" y2="76020.0"/> <atom id="Heparan-NAc-Glc-6S-atom9" elementType="O" x2="-259290.0" y2="141430.0"/> <atom id="Heparan-NAc-Glc-6S-atom10" elementType="O" x2="-402180.0" y2="58930.0"/> <atom id="Heparan-NAc-Glc-6S-atom11" elementType="C" x2="-389070.0" y2="-123160.0"/> <atom id="Heparan-NAc-Glc-6S-atom12" elementType="O" x2="-460520.0" y2="-81910.0"/> <atom id="Heparan-NAc-Glc-6S-atom13" elementType="R1" x2="-116390.0" y2="-188570.0"/> <atom id="Heparan-NAc-Glc-6S-atom14" elementType="R2" x2="-402180.0" y2="141430.0"/> <atom id="Heparan-NAc-Glc-6S-atom15" elementType="S" x2="-543020.0" y2="-81910.0"/> <atom id="Heparan-NAc-Glc-6S-atom16" elementType="O" x2="-625520.0" y2="-81910.0" formalCharge="-1"/> <atom id="Heparan-NAc-Glc-6S-atom17" elementType="O" x2="-543020.0" y2="-164410.0"/> <atom id="Heparan-NAc-Glc-6S-atom18" elementType="O" x2="-543020.0" y2="590.0"/> <atom id="Heparan-NAc-Glc-6S-atom19" elementType="C" x2="-129500.0" y2="158520.0"/> <atom id="Heparan-NAc-Glc-6S-atom20" elementType="O" x2="-200950.0" y2="199770.0"/> <atom id="Heparan-NAc-Glc-6S-atom21" elementType="C" x2="-58050.0" y2="199770.0"/> </atomArray> <bondArray> <bond id="Heparan-NAc-Glc-6S-bond…

CHEBI CHEBI:27622
structure data: InChI%3D1S%2FC9H10O5%2Fc1-14-7-4-5%282-3-6%287%2910%298%2811%299%2812%2913%2Fh2-4%2C8%2C10-11H%2C1H3%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:52226
structure data: InChI%3D1S%2FC15H26O%2Fc1-10-5-6-11-13%282%2C3%2912-9-15%2810%2C11%298-7-14%2812%2C4%2916%2Fh10-12%2C16H%2C5-9H2%2C1-4H3%2Ft10-%2C11%2B%2C12-%2C14%2B%2C15%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure139707
structure data: <atom id="Dinucleotide-atom1" elementType="O" x2="2467700.0" y2="-1986600.0"/> <atom id="Dinucleotide-atom2" elementType="R" x2="6246800.0" y2="0.0"/> <atom id="Dinucleotide-atom3" elementType="O" x2="4449200.0" y2="-1300.0"/> <atom id="Dinucleotide-atom4" elementType="O" x2="2465200.0" y2="-340900.0" formalCharge="-1"/> <atom id="Dinucleotide-atom5" elementType="Bases" x2="6935800.0" y2="-2577500.0"/> <atom id="Dinucleotide-atom6" elementType="C" x2="3904300.0" y2="-1709900.0"/> <atom id="Dinucleotide-atom7" elementType="O" x2="3290500.0" y2="-1161800.0"/> <atom id="Dinucleotide-atom8" elementType="O" x2="5346700.0" y2="-1931700.0"/> <atom id="Dinucleotide-atom9" elementType="O" x2="1644000.0" y2="-1163600.0" formalCharge="-1"/> <atom id="Dinucleotide-atom10" elementType="C" x2="5762600.0" y2="-665200.0"/> <atom id="Dinucleotide-atom11" elementType="C" x2="4935300.0" y2="-665200.0"/> <atom id="Dinucleotide-atom12" elementType="C" x2="6017000.0" y2="-1452500.0"/> <atom id="Dinucleotide-atom13" elementType="C" x2="4685600.0" y2="-1452500.0"/> <atom id="Dinucleotide-atom14" elementType="P" x2="2466800.0" y2="-1163600.0"/> <atom id="Dinucleotide-atom15" elementType="P" x2="4449200.0" y2="823700.0"/> <atom id="Dinucleotide-atom16" elementType="O" x2="5274200.0" y2="823700.0"/> <atom id="Dinucleotide-atom17" elementType="O" x2="3624200.0" y2="823700.0"/> <atom id="Dinucleotide-atom18" elementType="O" x2="4449200.0" y2="1648700.0"/> <atom id="Dinucleotide-atom19" elementType="C" x2="4036700.0" y2="2363200.0"/> <atom id="Dinucleotide-atom20" elementType="C" x2="4036700.0" y2="3188200.0"/> <atom id="Dinucleotide-atom21" elementType="O" x2="4704200.0" y2="2703200.0"/> <atom id="Dinucleotide-atom22" elementType="C" x2="4291700.0" y2="3972800.0"/> <atom id="Dinucleotide-atom23" elementType="C" x2="5116700.0" y2="3972800.0"/> <atom id="Dinucleotide-atom24" elementType="C" x2="5371600.0" y2="3188200.0"/> <atom id="Dinucleotide-atom25" elementType="O" x2="4078100.0" y2="4769600.0…

biopax-level3ChemicalStructure160636
structure data: <cml> <molecule id="Glucosyl-Ceramides" title="a D-glucosyl-N-acylsphingosine" formalCharge="0" dictRef="dictGlucosyl-Ceramides"> <atomArray> <atom id="Glucosyl-Ceramides-atom1" elementType="R" x2="-877.0" y2="9191.0"/> <atom id="Glucosyl-Ceramides-atom2" elementType="C" x2="-8022.0" y2="5066.0"/> <atom id="Glucosyl-Ceramides-atom3" elementType="O" x2="-8022.0" y2="-3184.0"/> <atom id="Glucosyl-Ceramides-atom4" elementType="N" x2="-15167.0" y2="9191.0"/> <atom id="Glucosyl-Ceramides-atom5" elementType="C" x2="-22311.0" y2="5066.0"/> <atom id="Glucosyl-Ceramides-atom6" elementType="C" x2="-22311.0" y2="-3184.0"/> <atom id="Glucosyl-Ceramides-atom7" elementType="O" x2="-29455.0" y2="-7309.0"/> <atom id="Glucosyl-Ceramides-atom8" elementType="C" x2="-29455.0" y2="-15559.0"/> <atom id="Glucosyl-Ceramides-atom9" elementType="C" x2="-22311.0" y2="-19683.0"/> <atom id="Glucosyl-Ceramides-atom10" elementType="C" x2="-22311.0" y2="-27933.0"/> <atom id="Glucosyl-Ceramides-atom11" elementType="C" x2="-29455.0" y2="-32058.0"/> <atom id="Glucosyl-Ceramides-atom12" elementType="C" x2="-36600.0" y2="-27933.0"/> <atom id="Glucosyl-Ceramides-atom13" elementType="O" x2="-36600.0" y2="-19683.0"/> <atom id="Glucosyl-Ceramides-atom14" elementType="C" x2="-43745.0" y2="-32058.0"/> <atom id="Glucosyl-Ceramides-atom15" elementType="O" x2="-43745.0" y2="-40308.0"/> <atom id="Glucosyl-Ceramides-atom16" elementType="O" x2="-29455.0" y2="-40308.0"/> <atom id="Glucosyl-Ceramides-atom17" elementType="O" x2="-15167.0" y2="-32058.0"/> <atom id="Glucosyl-Ceramides-atom18" elementType="O" x2="-15167.0" y2="-15559.0"/> <atom id="Glucosyl-Ceramides-atom19" elementType="C" x2="-29455.0" y2="9191.0"/> <atom id="Glucosyl-Ceramides-atom20" elementType="C" x2="-36600.0" y2="5066.0"/> <atom id="Glucosyl-Ceramides-atom21" elementType="C" x2="-43745.0" y2="9191.0"/> <atom id="Glucosyl-Ceramides-atom22" elementType="C" x2="-50889.0" y2="5066.0"/> <atom id="Glucosyl-Ceramides-atom23" elementType="C" x2="-58033.…

biopax-level3ChemicalStructure141973
structure data: <cml> <molecule id="CPD-557" title="a protein-Nomega-(ADP-D-ribosyl)-L-arginine" formalCharge="-2" dictRef="dictCPD-557"> <atomArray> <atom id="CPD-557-atom1" elementType="N" x2="4029.0" y2="14763.0"/> <atom id="CPD-557-atom2" elementType="N" x2="12192.0" y2="4446.0"/> <atom id="CPD-557-atom3" elementType="C" x2="19212.0" y2="8481.0"/> <atom id="CPD-557-atom4" elementType="N" x2="84794.0" y2="-15079.0"/> <atom id="CPD-557-atom5" elementType="C" x2="84794.0" y2="-6829.0"/> <atom id="CPD-557-atom6" elementType="N" x2="91939.0" y2="-2704.0"/> <atom id="CPD-557-atom7" elementType="C" x2="91939.0" y2="-19204.0"/> <atom id="CPD-557-atom8" elementType="N" x2="106928.0" y2="-17581.0"/> <atom id="CPD-557-atom9" elementType="C" x2="99083.0" y2="-15079.0"/> <atom id="CPD-557-atom10" elementType="C" x2="99049.0" y2="-6840.0"/> <atom id="CPD-557-atom11" elementType="N" x2="106883.0" y2="-4275.0"/> <atom id="CPD-557-atom12" elementType="C" x2="111730.0" y2="-10939.0"/> <atom id="CPD-557-atom13" elementType="N" x2="91852.0" y2="-27454.0"/> <atom id="CPD-557-atom14" elementType="C" x2="30022.0" y2="16318.0"/> <atom id="CPD-557-atom15" elementType="C" x2="32572.0" y2="8471.0"/> <atom id="CPD-557-atom16" elementType="O" x2="25897.0" y2="3621.0"/> <atom id="CPD-557-atom17" elementType="C" x2="21772.0" y2="16318.0"/> <atom id="CPD-557-atom18" elementType="C" x2="40472.0" y2="6279.0"/> <atom id="CPD-557-atom19" elementType="O" x2="17555.0" y2="23422.0"/> <atom id="CPD-557-atom20" elementType="O" x2="32084.0" y2="24247.0"/> <atom id="CPD-557-atom21" elementType="O" x2="42581.0" y2="-1696.0"/> <atom id="CPD-557-atom22" elementType="P" x2="50831.0" y2="-1696.0"/> <atom id="CPD-557-atom23" elementType="O" x2="50785.0" y2="6554.0"/> <atom id="CPD-557-atom24" elementType="O" x2="50785.0" y2="-9946.0" formalCharge="-1"/> <atom id="CPD-557-atom25" elementType="O" x2="59081.0" y2="-1696.0"/> <atom id="CPD-557-atom26" elementType="P" x2="67331.0" y2="-1696.0"/> <atom id="CPD-557-atom27" elementTy…

CHEBI CHEBI:16175
structure data: InChI%3D1S%2FC27H44O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh17-19%2C22-25H%2C6-16H2%2C1-5H3%2Ft19-%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:17306
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11%3F%2C12-%2Fm1%2Fs1

CHEBI CHEBI:59356
structure data: InChI%3D1S%2FC16H20N2O2%2Fc1-10%282%296-7-11-4-3-5-13-12%289-18-15%2811%2913%298-14%2817%2916%2819%2920%2Fh3-6%2C9%2C14%2C18H%2C7-8%2C17H2%2C1-2H3%2C%28H%2C19%2C20%29%2Ft14-%2Fm0%2Fs1

biopax-level3ChemicalStructure135708
structure data: <atom id="ALPHA-GLUCOSE-atom1" elementType="O" x2="33633.0" y2="-2420.0"/> <atom id="ALPHA-GLUCOSE-atom2" elementType="O" x2="33633.0" y2="14127.0"/> <atom id="ALPHA-GLUCOSE-atom3" elementType="O" x2="19247.0" y2="22379.0"/> <atom id="ALPHA-GLUCOSE-atom4" elementType="O" x2="4999.0" y2="14129.0"/> <atom id="ALPHA-GLUCOSE-atom5" elementType="O" x2="19246.0" y2="-2420.0"/> <atom id="ALPHA-GLUCOSE-atom6" elementType="O" x2="-1336.0" y2="2918.0"/> <atom id="ALPHA-GLUCOSE-atom7" elementType="C" x2="26463.0" y2="1706.0"/> <atom id="ALPHA-GLUCOSE-atom8" elementType="C" x2="26463.0" y2="9956.0"/> <atom id="ALPHA-GLUCOSE-atom9" elementType="C" x2="19246.0" y2="14129.0"/> <atom id="ALPHA-GLUCOSE-atom10" elementType="C" x2="12078.0" y2="9957.0"/> <atom id="ALPHA-GLUCOSE-atom11" elementType="C" x2="12078.0" y2="1707.0"/> <atom id="ALPHA-GLUCOSE-atom12" elementType="C" x2="4999.0" y2="-2419.0"/> <bond id="ALPHA-GLUCOSE-bond1" atomRefs="ALPHA-GLUCOSE-atom10 ALPHA-GLUCOSE-atom4" order="1"/> <bond id="ALPHA-GLUCOSE-bond2" atomRefs="ALPHA-GLUCOSE-atom9 ALPHA-GLUCOSE-atom3" order="1"/> <bond id="ALPHA-GLUCOSE-bond3" atomRefs="ALPHA-GLUCOSE-atom8 ALPHA-GLUCOSE-atom2" order="1"/> <bond id="ALPHA-GLUCOSE-bond4" atomRefs="ALPHA-GLUCOSE-atom7 ALPHA-GLUCOSE-atom1" order="1"/> <bond id="ALPHA-GLUCOSE-bond5" atomRefs="ALPHA-GLUCOSE-atom11 ALPHA-GLUCOSE-atom12" order="1"/> <bond id="ALPHA-GLUCOSE-bond6" atomRefs="ALPHA-GLUCOSE-atom10 ALPHA-GLUCOSE-atom11" order="1"/> <bond id="ALPHA-GLUCOSE-bond7" atomRefs="ALPHA-GLUCOSE-atom9 ALPHA-GLUCOSE-atom10" order="1"/> <bond id="ALPHA-GLUCOSE-bond8" atomRefs="ALPHA-GLUCOSE-atom8 ALPHA-GLUCOSE-atom9" order="1"/> <bond id="ALPHA-GLUCOSE-bond9" atomRefs="ALPHA-GLUCOSE-atom7 ALPHA-GLUCOSE-atom8" order="1"/> <bond id="ALPHA-GLUCOSE-bond10" atomRefs="ALPHA-GLUCOSE-atom5 ALPHA-GLUCOSE-atom7" order="1"/> <bond id="ALPHA-GLUCOSE-bond11" atomRefs="ALPHA-GLUCOSE-atom11 ALPHA-GLUCOSE-atom5" order="1"/> <bond id="ALPHA-GLUCOSE-bond12" atomRefs="ALPHA-GLUCOSE-atom6…

CHEBI CHEBI:48699
structure data: InChI%3D1S%2FC17H28O%2Fc1-12-9-10-15%2816%2812%2C2%293%2913-7-6-8-14%2811-13%2917%284%2C5%2918%2Fh7%2C9%2C14-15%2C18H%2C6%2C8%2C10-11H2%2C1-5H3

CHEBI CHEBI:17568
structure data: InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29

CHEBI CHEBI:29242
structure data: InChI%3D1S%2FAsH2O3%2Fc2-1%283%294%2Fh2-3H%2Fq-1

CHEBI CHEBI:9445
structure data: InChI%3D1S%2FC19H25N5O4%2Fc1-26-15-10-12-13%2811-16%2815%2927-2%2921-19%2822-17%2812%2920%2924-7-5-23%286-8-24%2918%2825%2914-4-3-9-28-14%2Fh10-11%2C14H%2C3-9H2%2C1-2H3%2C%28H2%2C20%2C21%2C22%29

CHEBI CHEBI:57504
structure data: InChI%3D1S%2FC9H11NO4%2Fc10-6%289%2813%2914%293-5-1-2-7%2811%298%2812%294-5%2Fh1-2%2C4%2C6%2C11-12H%2C3%2C10H2%2C%28H%2C13%2C14%29%2Ft6-%2Fm0%2Fs1

CHEBI CHEBI:15765
structure data: InChI%3D1S%2FC9H11NO4%2Fc10-6%289%2813%2914%293-5-1-2-7%2811%298%2812%294-5%2Fh1-2%2C4%2C6%2C11-12H%2C3%2C10H2%2C%28H%2C13%2C14%29%2Ft6-%2Fm0%2Fs1

CHEBI CHEBI:9701
structure data: InChI%3D1S%2FC21H36NO%2Fc1-4-22%285-2%2C6-3%2918-17-21%2823%2C19-13-9-7-10-14-19%2920-15-11-8-12-16-20%2Fh7%2C9-10%2C13-14%2C20%2C23H%2C4-6%2C8%2C11-12%2C15-18H2%2C1-3H3%2Fq%2B1

biopax-level3ChemicalStructure171205
structure data: <cml> <molecule id="Thyroglobulin-triiodothyronines" title="[thyroglobulin]-triiodothyronine" formalCharge="0" dictRef="dictThyroglobulin-triiodothyronines"> <atomArray> <atom id="Thyroglobulin-triiodothyronines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-triiodothyronines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-triiodothyronines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-triiodothyronines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-triiodothyronines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-triiodothyronines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-triiodothyronines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-triiodothyronines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-triiodothyronines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-triiodothyronines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-triiodothyronines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-triiodothyronines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-triiodothyronines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-triiodothyronines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-triiodothyronines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-triiodothyronines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-triiodothyronines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> <atom id="Thyroglobulin-triiodothyronines-atom18" elementType="I" x2="17454.0" y2="-22686.0"/> <atom id="Thyroglobulin-triiodothyronines-atom19" elementType="I" x2="3165.0" y2="2063.0"/> <atom id="Thyroglobulin…

CHEBI CHEBI:22144
structure data: InChI%3D1S%2FC15H20O3%2Fc1-11%286-8-16%295-7-15%2818%2912%282%299-13%2817%2910-14%2815%2C3%294%2Fh5-9%2C18H%2C10H2%2C1-4H3%2Fb7-5%2B%2C11-6-%2Ft15-%2Fm1%2Fs1

CHEBI CHEBI:31157
structure data: InChI%3D1S%2FC15H20O3%2Fc1-11%286-8-16%295-7-15%2818%2912%282%299-13%2817%2910-14%2815%2C3%294%2Fh5-9%2C18H%2C10H2%2C1-4H3%2Fb7-5%2B%2C11-6-%2Ft15-%2Fm1%2Fs1

biopax-level3ChemicalStructure168393
structure data: <atom id="SUPER-OXIDE-atom1" elementType="O" x2="998.0" y2="1630.0"/> <atom id="SUPER-OXIDE-atom2" elementType="O" x2="1768.0" y2="1334.0" formalCharge="-1"/> <bond id="SUPER-OXIDE-bond1" atomRefs="SUPER-OXIDE-atom1 SUPER-OXIDE-atom2" order="2"/> <formula concise="O 2"/> 31.999 O=[O-]

biopax-level3ChemicalStructure138276
structure data: <cml> <molecule id="CPD-11501" title="a vitamin K" formalCharge="0" dictRef="dictCPD-11501"> <atomArray> <atom id="CPD-11501-atom1" elementType="C" x2="1649.0" y2="824.0"/> <atom id="CPD-11501-atom2" elementType="C" x2="5274.0" y2="-430.0"/> <atom id="CPD-11501-atom3" elementType="C" x2="5274.0" y2="430.0"/> <atom id="CPD-11501-atom4" elementType="C" x2="4527.0" y2="-853.0"/> <atom id="CPD-11501-atom5" elementType="C" x2="4527.0" y2="853.0"/> <atom id="CPD-11501-atom6" elementType="C" x2="2362.0" y2="-412.0"/> <atom id="CPD-11501-atom7" elementType="C" x2="3790.0" y2="-412.0"/> <atom id="CPD-11501-atom8" elementType="C" x2="3790.0" y2="412.0"/> <atom id="CPD-11501-atom9" elementType="C" x2="2362.0" y2="412.0"/> <atom id="CPD-11501-atom10" elementType="C" x2="3076.0" y2="-824.0"/> <atom id="CPD-11501-atom11" elementType="C" x2="3076.0" y2="824.0"/> <atom id="CPD-11501-atom12" elementType="O" x2="3076.0" y2="-1649.0"/> <atom id="CPD-11501-atom13" elementType="O" x2="3076.0" y2="1649.0"/> <atom id="CPD-11501-atom14" elementType="R" x2="1648.0" y2="-824.0"/> </atomArray> <bondArray> <bond id="CPD-11501-bond1" atomRefs="CPD-11501-atom11 CPD-11501-atom13" order="2"/> <bond id="CPD-11501-bond2" atomRefs="CPD-11501-atom10 CPD-11501-atom12" order="2"/> <bond id="CPD-11501-bond3" atomRefs="CPD-11501-atom9 CPD-11501-atom11" order="1"/> <bond id="CPD-11501-bond4" atomRefs="CPD-11501-atom8 CPD-11501-atom11" order="1"/> <bond id="CPD-11501-bond5" atomRefs="CPD-11501-atom7 CPD-11501-atom10" order="1"/> <bond id="CPD-11501-bond6" atomRefs="CPD-11501-atom8 CPD-11501-atom7" order="2"/> <bond id="CPD-11501-bond7" atomRefs="CPD-11501-atom6 CPD-11501-atom10" order="1"/> <bond id="CPD-11501-bond8" atomRefs="CPD-11501-atom6 CPD-11501-atom9" order="2"/> <bond id="CPD-11501-bond9" atomRefs="CPD-11501-atom5 CPD-11501-atom8" order="1"/> <bond id="CPD-11501-bond10" atomRefs="CPD-11501-atom7 CPD-11501-atom4" order="1"/> <bond id="CPD-11501-bond11" atomRefs="CPD-11501-atom3 CPD-11501-atom5" orde…

CHEBI CHEBI:30751
structure data: InChI%3D1S%2FCH2O2%2Fc2-1-3%2Fh1H%2C%28H%2C2%2C3%29

CHEBI CHEBI:25646
structure data: InChI%3D1S%2FC8H16O2%2Fc1-2-3-4-5-6-7-8%289%2910%2Fh2-7H2%2C1H3%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:58586
structure data: InChI%3D1S%2FC8H6O4%2Fc9-6-3-1-5%282-4-6%297%2810%298%2811%2912%2Fh1-4%2C9H%2C%28H%2C11%2C12%29%2Fp-1

biopax-level3ChemicalStructure157143
structure data: <cml> <molecule id="Amino-Acids-20" title="a standard alpha amino acid" formalCharge="0" dictRef="dictAmino-Acids-20"> <atomArray> <atom id="Amino-Acids-20-atom1" elementType="N" x2="786.0" y2="0.0" formalCharge="1"/> <atom id="Amino-Acids-20-atom2" elementType="O" x2="1461.0" y2="-2065.0"/> <atom id="Amino-Acids-20-atom3" elementType="O" x2="2210.0" y2="-808.0" formalCharge="-1"/> <atom id="Amino-Acids-20-atom4" elementType="R" x2="0.0" y2="-1211.0"/> <atom id="Amino-Acids-20-atom5" elementType="C" x2="1466.0" y2="-1211.0"/> <atom id="Amino-Acids-20-atom6" elementType="C" x2="786.0" y2="-744.0"/> </atomArray> <bondArray> <bond id="Amino-Acids-20-bond1" atomRefs="Amino-Acids-20-atom5 Amino-Acids-20-atom6" order="1"/> <bond id="Amino-Acids-20-bond2" atomRefs="Amino-Acids-20-atom4 Amino-Acids-20-atom6" order="1"/> <bond id="Amino-Acids-20-bond3" atomRefs="Amino-Acids-20-atom3 Amino-Acids-20-atom5" order="1"/> <bond id="Amino-Acids-20-bond4" atomRefs="Amino-Acids-20-atom2 Amino-Acids-20-atom5" order="2"/> <bond id="Amino-Acids-20-bond5" atomRefs="Amino-Acids-20-atom6 Amino-Acids-20-atom1" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([O-])C([N+])[R]</string> </molecule> </cml>

CHEBI CHEBI:36319
structure data: InChI%3D1S%2FC9H10N2%2Fc1-3-8%2810-5-1%297-9-4-2-6-11-9%2Fh1-6%2C10-11H%2C7H2

biopax-level3ChemicalStructure170089
structure data: <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom1" elementType="C" x2="2167900.0" y2="-2472100.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom2" elementType="C" x2="4287000.0" y2="-3710000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom3" elementType="O" x2="0.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom4" elementType="O" x2="4287000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom5" elementType="C" x2="714000.0" y2="-1647000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom6" elementType="C" x2="1429000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom7" elementType="C" x2="5556000.0" y2="-2472000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom8" elementType="C" x2="5071000.0" y2="-1805000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom9" elementType="C" x2="1429000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom10" elementType="C" x2="2858000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom11" elementType="C" x2="2858000.0" y2="-2885000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom12" elementType="C" x2="714000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom13" elementType="C" x2="3572000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom14" elementType="C" x2="3572000.0" y2="-3297000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom15" elementType="C" x2="2143000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom16" elementType="C" x2="5071000.0" y2="-3140000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom17" elementType="C" x2="2858000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom18" elementType="C" x2="4287000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP-atom19" elementType="C" x2="2143000.0" y2="-1647000.0"/> <atom id="…

CHEBI CHEBI:18898
structure data: InChI%3D1S%2FC3H6N2O7%2Fc6-1-3%2812-5%289%2910%292-11-4%287%298%2Fh3%2C6H%2C1-2H2

CHEBI CHEBI:17759
structure data: InChI%3D1S%2FC27H44O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh9-10%2C18-19%2C21%2C23-25%2C28H%2C6-8%2C11-17H2%2C1-5H3%2Ft19-%2C21%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:15348
structure data: InChI%3D1S%2FC4H7NO%2Fc1-4%282%2C6%293-5%2Fh6H%2C1-2H3

CHEBI CHEBI:32383
structure data: InChI%3D1S%2FC6H12O3%2Fc7-5-3-1-2-4-6%288%299%2Fh7H%2C1-5H2%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:17717
structure data: InChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)

CHEBI CHEBI:25935
structure data: InChI%3D1S%2FHO2%2Fc1-2%2Fh1H

CHEBI CHEBI:57720
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-2-3%287%294%288%295%2812-2%2913-14%289%2C10%2911%2Fh2-8H%2C1H2%2C%28H2%2C9%2C10%2C11%29%2Fp-2%2Ft2-%2C3-%2C4-%2C5-%2Fm1%2Fs1

CHEBI CHEBI:27781
structure data: InChI%3D1S%2FC14H26O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2815%2916%2Fh5-6H%2C2-4%2C7-13H2%2C1H3%2C%28H%2C15%2C16%29%2Fb6-5-

CHEBI CHEBI:16217
structure data: InChI%3D1S%2FC6H10O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-5%2C7-10H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5-%2Fm1%2Fs1

biopax-level3ChemicalStructure141603
structure data: <cml> <molecule id="Protein-L-Aspartates" title="a [protein]-L-aspartate" formalCharge="0" dictRef="dictProtein-L-Aspartates"> <atomArray> <atom id="Protein-L-Aspartates-atom1" elementType="O" x2="-5644.0" y2="-3852.0"/> <atom id="Protein-L-Aspartates-atom2" elementType="C" x2="1501.0" y2="8523.0"/> <atom id="Protein-L-Aspartates-atom3" elementType="N" x2="8646.0" y2="-3852.0"/> <atom id="Protein-L-Aspartates-atom4" elementType="C" x2="1501.0" y2="-7977.0"/> <atom id="Protein-L-Aspartates-atom5" elementType="Protein" x2="1501.0" y2="-16227.0"/> <atom id="Protein-L-Aspartates-atom6" elementType="O" x2="1501.0" y2="16773.0"/> <atom id="Protein-L-Aspartates-atom7" elementType="C" x2="8646.0" y2="4398.0"/> <atom id="Protein-L-Aspartates-atom8" elementType="C" x2="15790.0" y2="8523.0"/> <atom id="Protein-L-Aspartates-atom9" elementType="C" x2="21624.0" y2="2689.0"/> <atom id="Protein-L-Aspartates-atom10" elementType="O" x2="28769.0" y2="6814.0"/> <atom id="Protein-L-Aspartates-atom11" elementType="O" x2="21624.0" y2="-5561.0"/> <atom id="Protein-L-Aspartates-atom12" elementType="N" x2="-5644.0" y2="4398.0"/> <atom id="Protein-L-Aspartates-atom13" elementType="Protein" x2="-12788.0" y2="8523.0"/> </atomArray> <bondArray> <bond id="Protein-L-Aspartates-bond1" atomRefs="Protein-L-Aspartates-atom4 Protein-L-Aspartates-atom5" order="1"/> <bond id="Protein-L-Aspartates-bond2" atomRefs="Protein-L-Aspartates-atom2 Protein-L-Aspartates-atom6" order="2"/> <bond id="Protein-L-Aspartates-bond3" atomRefs="Protein-L-Aspartates-atom4 Protein-L-Aspartates-atom3" order="1"/> <bond id="Protein-L-Aspartates-bond4" atomRefs="Protein-L-Aspartates-atom4 Protein-L-Aspartates-atom1" order="2"/> <bond id="Protein-L-Aspartates-bond5" atomRefs="Protein-L-Aspartates-atom2 Protein-L-Aspartates-atom7" order="1"/> <bond id="Protein-L-Aspartates-bond6" atomRefs="Protein-L-Aspartates-atom7 Protein-L-Aspartates-atom3" order="1"/> <bond id="Protein-L-Aspartates-bond7" atomRefs="Protein-L-Aspartates-atom7 …

CHEBI CHEBI:36713
structure data: InChI%3D1S%2FC19H32O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh12-17%2C20-21H%2C3-11H2%2C1-2H3%2Ft12-%2C13%2B%2C14-%2C15-%2C16-%2C17-%2C18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:32649
structure data: InChI%3D1S%2FC18H19NO7%2Fc20-13-14%2821%2916%2817%2823%2924%2925-18%2815%2813%2922%2926-19-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9%2C13-16%2C18-22H%2C%28H%2C23%2C24%29%2Ft13-%2C14-%2C15%2B%2C16-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:17120
structure data: InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29%2Fp-1

CHEBI CHEBI:65341
structure data: InChI%3D1S%2FC20H32O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19%2821%2917-15-18-20%2822%2923%2Fh6-7%2C9-10%2C12-14%2C16%2C19%2C21H%2C2-5%2C8%2C11%2C15%2C17-18H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb7-6-%2C10-9-%2C13-12-%2C16-14%2B

CHEBI CHEBI:15361
structure data: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1

CHEBI CHEBI:29805
structure data: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1

biopax-level3ChemicalStructure160132
structure data: <atom id="CPD-5167-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5167-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5167-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5167-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5167-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5167-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5167-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5167-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5167-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5167-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5167-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5167-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5167-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5167-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5167-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5167-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5167-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5167-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5167-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5167-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5167-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5167-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5167-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5167-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5167-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5167-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5167-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

CHEBI CHEBI:40538
structure data: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

CHEBI CHEBI:63976
structure data: InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C16-19%2C22-23H%2C2-3%2C5-6%2C8-14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2Ft16-%2C17-%2C18%2B%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure132851
structure data: <atom id="CPD-11517-atom1" elementType="C" x2="25454.0" y2="-15606.0"/> <atom id="CPD-11517-atom2" elementType="C" x2="-17651.0" y2="-32999.0"/> <atom id="CPD-11517-atom3" elementType="C" x2="4350.0" y2="-19441.0"/> <atom id="CPD-11517-atom4" elementType="C" x2="4733.0" y2="-33897.0"/> <atom id="CPD-11517-atom5" elementType="O" x2="-36327.0" y2="-37861.0"/> <atom id="CPD-11517-atom6" elementType="C" x2="-33768.0" y2="-17651.0"/> <atom id="CPD-11517-atom7" elementType="O" x2="30826.0" y2="-27373.0"/> <atom id="CPD-11517-atom8" elementType="C" x2="-33768.0" y2="-31209.0"/> <atom id="CPD-11517-atom9" elementType="C" x2="-25196.0" y2="-19441.0"/> <atom id="CPD-11517-atom10" elementType="C" x2="-37861.0" y2="-24814.0"/> <atom id="CPD-11517-atom11" elementType="C" x2="-2559.0" y2="-15220.0"/> <atom id="CPD-11517-atom12" elementType="C" x2="-17140.0" y2="-15220.0"/> <atom id="CPD-11517-atom13" elementType="C" x2="-9976.0" y2="-19699.0"/> <atom id="CPD-11517-atom14" elementType="C" x2="18419.0" y2="-19699.0"/> <atom id="CPD-11517-atom15" elementType="C" x2="-25196.0" y2="-29164.0"/> <atom id="CPD-11517-atom16" elementType="C" x2="-2942.0" y2="-29418.0"/> <atom id="CPD-11517-atom17" elementType="C" x2="-10616.0" y2="-29418.0"/> <atom id="CPD-11517-atom18" elementType="C" x2="11767.0" y2="-30186.0"/> <atom id="CPD-11517-atom19" elementType="C" x2="30955.0" y2="-20979.0"/> <atom id="CPD-11517-atom20" elementType="C" x2="12025.0" y2="-15091.0"/> <atom id="CPD-11517-atom21" elementType="C" x2="99507.0" y2="-6194.0"/> <atom id="CPD-11517-atom22" elementType="O" x2="108755.0" y2="29865.0" formalCharge="-1"/> <atom id="CPD-11517-atom23" elementType="O" x2="107989.0" y2="-18201.0"/> <atom id="CPD-11517-atom24" elementType="O" x2="88569.0" y2="30815.0" formalCharge="-1"/> <atom id="CPD-11517-atom25" elementType="N" x2="92108.0" y2="-9841.0"/> <atom id="CPD-11517-atom26" elementType="N" x2="95813.0" y2="-24451.0"/> <atom id="CPD-11517-atom27" elementType="O" x2="114659.0" y2="19499.0"…

CHEBI CHEBI:17230
structure data: InChI%3D1S%2FC4H9NO2S%2Fc5-3%281-2-8%294%286%297%2Fh3%2C8H%2C1-2%2C5H2%2C%28H%2C6%2C7%29

CHEBI CHEBI:17540
structure data: InChI%3D1S%2FC7H14O6%2Fc1-12-7-6%2811%295%2810%294%289%293%282-8%2913-7%2Fh3-11H%2C2H2%2C1H3%2Ft3-%2C4%2B%2C5%2B%2C6-%2C7-%2Fm1%2Fs1

CHEBI CHEBI:28128
structure data: InChI%3D1S%2FC9H6Br2O4%2Fc10-5-1-4%282-6%2811%298%285%2913%293-7%2812%299%2814%2915%2Fh1-2%2C13H%2C3H2%2C%28H%2C14%2C15%29

CHEBI CHEBI:17312
structure data: InChI%3D1S%2FC12H28N4O%2Fc1-12%2817%2916-11-5-10-15-8-3-2-7-14-9-4-6-13%2Fh14-15H%2C2-11%2C13H2%2C1H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:28600
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11%2C16H%2C5-6%2C8%2C10%2C12H2%2C1-4H3

CHEBI CHEBI:27852
structure data: InChI%3D1S%2FC8H8O4%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-4%2C8%2C10-12H

biopax-level3ChemicalStructure164070
structure data: <atom id="CPD-11877-atom1" elementType="C" x2="-10018.0" y2="-4125.0"/> <atom id="CPD-11877-atom2" elementType="C" x2="-17163.0" y2="0.0"/> <atom id="CPD-11877-atom3" elementType="C" x2="-17163.0" y2="8250.0"/> <atom id="CPD-11877-atom4" elementType="C" x2="-10018.0" y2="12375.0"/> <atom id="CPD-11877-atom5" elementType="C" x2="-2873.0" y2="8250.0"/> <atom id="CPD-11877-atom6" elementType="C" x2="-2873.0" y2="0.0"/> <atom id="CPD-11877-atom7" elementType="O" x2="-10018.0" y2="20625.0"/> <atom id="CPD-11877-atom8" elementType="O" x2="-24307.0" y2="12375.0"/> <atom id="CPD-11877-atom9" elementType="C" x2="-31687.0" y2="8688.0"/> <atom id="CPD-11877-atom10" elementType="C" x2="-10018.0" y2="-12375.0"/> <atom id="CPD-11877-atom11" elementType="C" x2="-2873.0" y2="-16500.0"/> <atom id="CPD-11877-atom12" elementType="O" x2="-17163.0" y2="-16500.0"/> <atom id="CPD-11877-atom13" elementType="N" x2="-2873.0" y2="-24750.0"/> <atom id="CPD-11877-atom14" elementType="C" x2="4272.0" y2="-28875.0"/> <bond id="CPD-11877-bond1" atomRefs="CPD-11877-atom1 CPD-11877-atom2" order="2"/> <bond id="CPD-11877-bond2" atomRefs="CPD-11877-atom2 CPD-11877-atom3" order="1"/> <bond id="CPD-11877-bond3" atomRefs="CPD-11877-atom3 CPD-11877-atom4" order="2"/> <bond id="CPD-11877-bond4" atomRefs="CPD-11877-atom4 CPD-11877-atom5" order="1"/> <bond id="CPD-11877-bond5" atomRefs="CPD-11877-atom5 CPD-11877-atom6" order="2"/> <bond id="CPD-11877-bond6" atomRefs="CPD-11877-atom1 CPD-11877-atom6" order="1"/> <bond id="CPD-11877-bond7" atomRefs="CPD-11877-atom4 CPD-11877-atom7" order="1"/> <bond id="CPD-11877-bond8" atomRefs="CPD-11877-atom3 CPD-11877-atom8" order="1"/> <bond id="CPD-11877-bond9" atomRefs="CPD-11877-atom8 CPD-11877-atom9" order="1"/> <bond id="CPD-11877-bond10" atomRefs="CPD-11877-atom1 CPD-11877-atom10" order="1"/> <bond id="CPD-11877-bond11" atomRefs="CPD-11877-atom10 CPD-11877-atom11" order="1"/> <bond id="CPD-11877-bond12" atomRefs="CPD-11877-atom10 CPD-11877-atom12" order="1"/> <bond i…

biopax-level3ChemicalStructure167315
structure data: <cml> <molecule id="2-trans-4-cis-dienoyl-CoAs" title="a 2-trans-4-cis-dienoyl-CoA" formalCharge="-4"> <atomArray> <atom id="2-trans-4-cis-dienoyl-CoAs-atom1" elementType="C" x2="-33929.0" y2="-6779.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom2" elementType="C" x2="-28886.0" y2="-1717.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom3" elementType="C" x2="-22366.0" y2="-3654.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom4" elementType="C" x2="-15223.0" y2="471.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom5" elementType="C" x2="-6828.0" y2="721.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom6" elementType="R1" x2="-832.0" y2="-5959.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom7" elementType="O" x2="-28711.0" y2="-14091.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom8" elementType="C" x2="-59955.0" y2="-9125.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom9" elementType="N" x2="-59955.0" y2="-17375.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom10" elementType="C" x2="-67100.0" y2="-21499.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom11" elementType="O" x2="-74245.0" y2="-17375.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom12" elementType="C" x2="-67100.0" y2="-29749.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom13" elementType="C" x2="-74245.0" y2="-33874.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom14" elementType="N" x2="-74245.0" y2="-42124.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom15" elementType="C" x2="-81389.0" y2="-46249.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom16" elementType="O" x2="-88534.0" y2="-42124.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom17" elementType="C" x2="-81389.0" y2="-54499.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom18" elementType="O" x2="-74245.0" y2="-58623.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom19" elementType="C" x2="-88534.0" y2="-58623.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom20" elementType="C" x2="-84409.0" y2="-65768.0"/> <atom id="2-trans-4-cis-dienoyl-CoAs-atom21" elementType="C" x2="-92659.0" y2="-51479.0…

CHEBI CHEBI:16867
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm1%2Fs1

biopax-level3ChemicalStructure143868
structure data: <atom id="DIETHYLPHOSPHATE-atom1" elementType="O" x2="4362.0" y2="-1535.0" formalCharge="-1"/> <atom id="DIETHYLPHOSPHATE-atom2" elementType="P" x2="4776.0" y2="-2248.0"/> <atom id="DIETHYLPHOSPHATE-atom3" elementType="O" x2="5357.0" y2="-1658.0"/> <atom id="DIETHYLPHOSPHATE-atom4" elementType="O" x2="5357.0" y2="-2829.0"/> <atom id="DIETHYLPHOSPHATE-atom5" elementType="O" x2="4182.0" y2="-2822.0"/> <atom id="DIETHYLPHOSPHATE-atom6" elementType="C" x2="6156.0" y2="-1866.0"/> <atom id="DIETHYLPHOSPHATE-atom7" elementType="C" x2="6735.0" y2="-1278.0"/> <atom id="DIETHYLPHOSPHATE-atom8" elementType="C" x2="5144.0" y2="-3626.0"/> <atom id="DIETHYLPHOSPHATE-atom9" elementType="C" x2="5937.0" y2="-3838.0"/> <bond id="DIETHYLPHOSPHATE-bond1" atomRefs="DIETHYLPHOSPHATE-atom8 DIETHYLPHOSPHATE-atom9" order="1"/> <bond id="DIETHYLPHOSPHATE-bond2" atomRefs="DIETHYLPHOSPHATE-atom4 DIETHYLPHOSPHATE-atom8" order="1"/> <bond id="DIETHYLPHOSPHATE-bond3" atomRefs="DIETHYLPHOSPHATE-atom2 DIETHYLPHOSPHATE-atom4" order="1"/> <bond id="DIETHYLPHOSPHATE-bond4" atomRefs="DIETHYLPHOSPHATE-atom6 DIETHYLPHOSPHATE-atom7" order="1"/> <bond id="DIETHYLPHOSPHATE-bond5" atomRefs="DIETHYLPHOSPHATE-atom1 DIETHYLPHOSPHATE-atom2" order="1"/> <bond id="DIETHYLPHOSPHATE-bond6" atomRefs="DIETHYLPHOSPHATE-atom3 DIETHYLPHOSPHATE-atom6" order="1"/> <bond id="DIETHYLPHOSPHATE-bond7" atomRefs="DIETHYLPHOSPHATE-atom2 DIETHYLPHOSPHATE-atom3" order="1"/> <bond id="DIETHYLPHOSPHATE-bond8" atomRefs="DIETHYLPHOSPHATE-atom2 DIETHYLPHOSPHATE-atom5" order="2"/> <formula concise="H 10 C 4 P 1 O 4"/> 153.094 CCOP(=O)([O-])OCC

biopax-level3ChemicalStructure138759
structure data: <atom id="CPD-7272-atom1" elementType="O" x2="46505.0" y2="-15394.0"/> <atom id="CPD-7272-atom2" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-7272-atom3" elementType="O" x2="0.0" y2="-16500.0"/> <atom id="CPD-7272-atom4" elementType="O" x2="46505.0" y2="-1105.0" formalCharge="-1"/> <atom id="CPD-7272-atom5" elementType="C" x2="14290.0" y2="0.0"/> <atom id="CPD-7272-atom6" elementType="C" x2="29280.0" y2="-14924.0"/> <atom id="CPD-7272-atom7" elementType="C" x2="14290.0" y2="-16500.0"/> <atom id="CPD-7272-atom8" elementType="N" x2="29280.0" y2="-1576.0"/> <atom id="CPD-7272-atom9" elementType="C" x2="42380.0" y2="-8250.0"/> <atom id="CPD-7272-atom10" elementType="C" x2="7144.0" y2="-4125.0"/> <atom id="CPD-7272-atom11" elementType="C" x2="7144.0" y2="-12375.0"/> <atom id="CPD-7272-atom12" elementType="C" x2="21434.0" y2="-12375.0"/> <atom id="CPD-7272-atom13" elementType="C" x2="21434.0" y2="-4125.0"/> <atom id="CPD-7272-atom14" elementType="C" x2="34130.0" y2="-8250.0"/> <bond id="CPD-7272-bond1" atomRefs="CPD-7272-atom1 CPD-7272-atom9" order="2"/> <bond id="CPD-7272-bond2" atomRefs="CPD-7272-atom2 CPD-7272-atom10" order="2"/> <bond id="CPD-7272-bond3" atomRefs="CPD-7272-atom3 CPD-7272-atom11" order="2"/> <bond id="CPD-7272-bond4" atomRefs="CPD-7272-atom4 CPD-7272-atom9" order="1"/> <bond id="CPD-7272-bond5" atomRefs="CPD-7272-atom5 CPD-7272-atom10" order="1"/> <bond id="CPD-7272-bond6" atomRefs="CPD-7272-atom5 CPD-7272-atom13" order="2"/> <bond id="CPD-7272-bond7" atomRefs="CPD-7272-atom6 CPD-7272-atom12" order="2"/> <bond id="CPD-7272-bond8" atomRefs="CPD-7272-atom6 CPD-7272-atom14" order="1"/> <bond id="CPD-7272-bond9" atomRefs="CPD-7272-atom7 CPD-7272-atom11" order="1"/> <bond id="CPD-7272-bond10" atomRefs="CPD-7272-atom7 CPD-7272-atom12" order="1"/> <bond id="CPD-7272-bond11" atomRefs="CPD-7272-atom8 CPD-7272-atom13" order="1"/> <bond id="CPD-7272-bond12" atomRefs="CPD-7272-atom8 CPD-7272-atom14" order="1"/> <bond id="CPD-7272-bond13" atomRefs="CPD-7272-at…

biopax-level3ChemicalStructure171650
structure data: <atom id="UBIQUINONE-8-atom1" elementType="C" x2="-237980.0" y2="-310620.0"/> <atom id="UBIQUINONE-8-atom2" elementType="C" x2="-308020.0" y2="-186070.0"/> <atom id="UBIQUINONE-8-atom3" elementType="C" x2="47790.0" y2="-313850.0"/> <atom id="UBIQUINONE-8-atom4" elementType="C" x2="336660.0" y2="-317050.0"/> <atom id="UBIQUINONE-8-atom5" elementType="C" x2="619300.0" y2="-320300.0"/> <atom id="UBIQUINONE-8-atom6" elementType="C" x2="905060.0" y2="-323530.0"/> <atom id="UBIQUINONE-8-atom7" elementType="C" x2="1190830.0" y2="-326750.0"/> <atom id="UBIQUINONE-8-atom8" elementType="C" x2="1476590.0" y2="-329980.0"/> <atom id="UBIQUINONE-8-atom9" elementType="C" x2="1763840.0" y2="-333210.0"/> <atom id="UBIQUINONE-8-atom10" elementType="O" x2="2050510.0" y2="0.0"/> <atom id="UBIQUINONE-8-atom11" elementType="O" x2="2053280.0" y2="-337360.0"/> <atom id="UBIQUINONE-8-atom12" elementType="C" x2="-165140.0" y2="-187690.0"/> <atom id="UBIQUINONE-8-atom13" elementType="C" x2="120630.0" y2="-190910.0"/> <atom id="UBIQUINONE-8-atom14" elementType="C" x2="406380.0" y2="-194140.0"/> <atom id="UBIQUINONE-8-atom15" elementType="C" x2="692140.0" y2="-197370.0"/> <atom id="UBIQUINONE-8-atom16" elementType="C" x2="977900.0" y2="-200600.0"/> <atom id="UBIQUINONE-8-atom17" elementType="C" x2="1263660.0" y2="-203820.0"/> <atom id="UBIQUINONE-8-atom18" elementType="C" x2="1549410.0" y2="-207050.0"/> <atom id="UBIQUINONE-8-atom19" elementType="C" x2="1835180.0" y2="-210280.0"/> <atom id="UBIQUINONE-8-atom20" elementType="C" x2="-94160.0" y2="-229740.0"/> <atom id="UBIQUINONE-8-atom21" elementType="C" x2="191610.0" y2="-232970.0"/> <atom id="UBIQUINONE-8-atom22" elementType="C" x2="477360.0" y2="-236200.0"/> <atom id="UBIQUINONE-8-atom23" elementType="C" x2="763120.0" y2="-239420.0"/> <atom id="UBIQUINONE-8-atom24" elementType="C" x2="1048880.0" y2="-242650.0"/> <atom id="UBIQUINONE-8-atom25" elementType="C" x2="1334640.0" y2="-245880.0"/> <atom id="UBIQUINONE-8-atom26" elementType="C" x2="16…

biopax-level3ChemicalStructure167070
structure data: <atom id="CPD-4187-atom1" elementType="C" x2="30625.0" y2="8937.0"/> <atom id="CPD-4187-atom2" elementType="C" x2="23480.0" y2="13062.0"/> <atom id="CPD-4187-atom3" elementType="C" x2="30625.0" y2="25438.0"/> <atom id="CPD-4187-atom4" elementType="C" x2="37769.0" y2="21313.0"/> <atom id="CPD-4187-atom5" elementType="C" x2="44913.0" y2="25438.0"/> <atom id="CPD-4187-atom6" elementType="C" x2="52058.0" y2="21313.0"/> <atom id="CPD-4187-atom7" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="CPD-4187-atom8" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="CPD-4187-atom9" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="CPD-4187-atom10" elementType="C" x2="44913.0" y2="687.0"/> <atom id="CPD-4187-atom11" elementType="C" x2="67049.0" y2="-1862.0"/> <atom id="CPD-4187-atom12" elementType="C" x2="77779.0" y2="-11299.0"/> <atom id="CPD-4187-atom13" elementType="C" x2="83227.0" y2="-5105.0"/> <atom id="CPD-4187-atom14" elementType="C" x2="104853.0" y2="-2153.0"/> <atom id="CPD-4187-atom15" elementType="C" x2="94124.0" y2="7285.0"/> <atom id="CPD-4187-atom16" elementType="C" x2="96765.0" y2="-532.0"/> <atom id="CPD-4187-atom17" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="CPD-4187-atom18" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="CPD-4187-atom19" elementType="C" x2="59203.0" y2="-7563.0"/> <atom id="CPD-4187-atom20" elementType="C" x2="91317.0" y2="-6726.0"/> <atom id="CPD-4187-atom21" elementType="C" x2="69690.0" y2="-9678.0"/> <atom id="CPD-4187-atom22" elementType="C" x2="64241.0" y2="-15873.0"/> <atom id="CPD-4187-atom23" elementType="C" x2="23480.0" y2="21313.0"/> <atom id="CPD-4187-atom24" elementType="O" x2="16336.0" y2="25438.0"/> <atom id="CPD-4187-atom25" elementType="C" x2="59203.0" y2="8937.0"/> <atom id="CPD-4187-atom26" elementType="C" x2="59203.0" y2="687.0"/> <atom id="CPD-4187-atom27" elementType="C" x2="67049.0" y2="11486.0"/> <atom id="CPD-4187-atom28" elementType="C" x2="71898.0" y2="4812.0"/> <bond id="CPD-4187-bond1" ato…

CHEBI CHEBI:30851
structure data: InChI%3D1S%2FC9H8O3%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H%2C11%2C12%29

biopax-level3ChemicalStructure167130
structure data: <atom id="CPD-4507-atom1" elementType="C" x2="42364.0" y2="-31290.0"/> <atom id="CPD-4507-atom2" elementType="C" x2="71504.0" y2="-22868.0"/> <atom id="CPD-4507-atom3" elementType="C" x2="49508.0" y2="-35415.0"/> <atom id="CPD-4507-atom4" elementType="C" x2="64028.0" y2="-18629.0"/> <atom id="CPD-4507-atom5" elementType="C" x2="42364.0" y2="-23040.0"/> <atom id="CPD-4507-atom6" elementType="C" x2="71504.0" y2="-31461.0"/> <atom id="CPD-4507-atom7" elementType="C" x2="35219.0" y2="22335.0"/> <atom id="CPD-4507-atom8" elementType="C" x2="35219.0" y2="14085.0"/> <atom id="CPD-4507-atom9" elementType="C" x2="28075.0" y2="26460.0"/> <atom id="CPD-4507-atom10" elementType="C" x2="42364.0" y2="9960.0"/> <atom id="CPD-4507-atom11" elementType="C" x2="28075.0" y2="34710.0"/> <atom id="CPD-4507-atom12" elementType="C" x2="42364.0" y2="1710.0"/> <atom id="CPD-4507-atom13" elementType="C" x2="56654.0" y2="-23040.0"/> <atom id="CPD-4507-atom14" elementType="C" x2="56654.0" y2="-31290.0"/> <atom id="CPD-4507-atom15" elementType="C" x2="49508.0" y2="-18915.0"/> <atom id="CPD-4507-atom16" elementType="C" x2="64028.0" y2="-35701.0"/> <atom id="CPD-4507-atom17" elementType="N" x2="20929.0" y2="38835.0" formalCharge="1"/> <atom id="CPD-4507-atom18" elementType="N" x2="49508.0" y2="-2415.0"/> <atom id="CPD-4507-atom19" elementType="O" x2="41258.0" y2="-10665.0"/> <atom id="CPD-4507-atom20" elementType="O" x2="57758.0" y2="-10665.0"/> <atom id="CPD-4507-atom21" elementType="S" x2="49508.0" y2="-10665.0"/> <atom id="CPD-4507-atom22" elementType="CL" x2="63933.0" y2="-43950.0"/> <bond id="CPD-4507-bond1" atomRefs="CPD-4507-atom20 CPD-4507-atom21" order="2"/> <bond id="CPD-4507-bond2" atomRefs="CPD-4507-atom19 CPD-4507-atom21" order="2"/> <bond id="CPD-4507-bond3" atomRefs="CPD-4507-atom18 CPD-4507-atom21" order="1"/> <bond id="CPD-4507-bond4" atomRefs="CPD-4507-atom16 CPD-4507-atom22" order="1"/> <bond id="CPD-4507-bond5" atomRefs="CPD-4507-atom15 CPD-4507-atom21" order="1"/> <bond id="CP…

CHEBI CHEBI:60274
structure data: InChI%3D1S%2FC20H40NO8P%2Fc1-6-8-10-12-19%2822%2926-16-18%2829-20%2823%2913-11-9-7-2%2917-28-30%2824%2C25%2927-15-14-21%283%2C4%295%2Fh18H%2C6-17H2%2C1-5H3%2Fp%2B1%2Ft18-%2Fm1%2Fs1

CHEBI CHEBI:12154
structure data: InChI%3D1S%2FC6H10O3%2Fc1-5%287%293-2-4-6%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure138270
structure data: <cml> <molecule id="Protein-Glutamates" title="a [protein]-L-glutamate" formalCharge="0" dictRef="dictProtein-Glutamates"> <atomArray> <atom id="Protein-Glutamates-atom1" elementType="Protein" x2="-10159.0" y2="-4634.0"/> <atom id="Protein-Glutamates-atom2" elementType="C" x2="-3014.0" y2="-8759.0"/> <atom id="Protein-Glutamates-atom3" elementType="C" x2="4130.0" y2="-4634.0"/> <atom id="Protein-Glutamates-atom4" elementType="C" x2="11275.0" y2="-8759.0"/> <atom id="Protein-Glutamates-atom5" elementType="C" x2="18420.0" y2="-4634.0"/> <atom id="Protein-Glutamates-atom6" elementType="C" x2="25565.0" y2="-8759.0"/> <atom id="Protein-Glutamates-atom7" elementType="O" x2="32709.0" y2="-4634.0"/> <atom id="Protein-Glutamates-atom8" elementType="O" x2="-3014.0" y2="-17009.0"/> <atom id="Protein-Glutamates-atom9" elementType="N" x2="4130.0" y2="3616.0"/> <atom id="Protein-Glutamates-atom10" elementType="Protein" x2="-3014.0" y2="7741.0"/> <atom id="Protein-Glutamates-atom11" elementType="O" x2="25565.0" y2="-17009.0"/> </atomArray> <bondArray> <bond id="Protein-Glutamates-bond1" atomRefs="Protein-Glutamates-atom1 Protein-Glutamates-atom2" order="1"/> <bond id="Protein-Glutamates-bond2" atomRefs="Protein-Glutamates-atom2 Protein-Glutamates-atom3" order="1"/> <bond id="Protein-Glutamates-bond3" atomRefs="Protein-Glutamates-atom3 Protein-Glutamates-atom4" order="1"/> <bond id="Protein-Glutamates-bond4" atomRefs="Protein-Glutamates-atom4 Protein-Glutamates-atom5" order="1"/> <bond id="Protein-Glutamates-bond5" atomRefs="Protein-Glutamates-atom5 Protein-Glutamates-atom6" order="1"/> <bond id="Protein-Glutamates-bond6" atomRefs="Protein-Glutamates-atom6 Protein-Glutamates-atom7" order="1"/> <bond id="Protein-Glutamates-bond7" atomRefs="Protein-Glutamates-atom2 Protein-Glutamates-atom8" order="2"/> <bond id="Protein-Glutamates-bond8" atomRefs="Protein-Glutamates-atom3 Protein-Glutamates-atom9" order="1"/> <bond id="Protein-Glutamates-bond9" atomRefs="Protein-Glutamates-atom9 Prot…

CHEBI CHEBI:53166
structure data: InChI%3D1S%2FC20H24O2%2Fc1-17%2811-7-13-19%283%2915-21%299-5-6-10-18%282%2912-8-14-20%284%2916-22%2Fh5-16H%2C1-4H3%2Fb6-5%2B%2C11-7%2B%2C12-8%2B%2C17-9%2B%2C18-10%2B%2C19-13%2B%2C20-14%2B

CHEBI CHEBI:57774
structure data: InChI%3D1S%2FC5H8O4%2Fc1-3%286%295%282%2C9%294%287%298%2Fh9H%2C1-2H3%2C%28H%2C7%2C8%29%2Fp-1

CHEBI CHEBI:62450
structure data: InChI%3D1S%2FC30H36O2%2Fc1-25%2815-9-17-27%283%2919-11-21-29%285%2923-31%2913-7-8-14-26%282%2916-10-18-28%284%2920-12-22-30%286%2924-32%2Fh7-24H%2C1-6H3%2Fb8-7%2B%2C15-9%2B%2C16-10%2B%2C19-11%2B%2C20-12%2B%2C25-13%2B%2C26-14%2B%2C27-17%2B%2C28-18%2B%2C29-21%2B%2C30-22%2B

CHEBI CHEBI:58121
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-3%287%295%289%294%288%292-13-14%2810%2C11%2912%2Fh4-6%2C8-9H%2C1-2H2%2C%28H2%2C10%2C11%2C12%29%2Fp-2%2Ft4-%2C5%2B%2Fm1%2Fs1

CHEBI CHEBI:57678
structure data: InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1

CHEBI CHEBI:63993
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-8-12-17%2821%2913-9-6-4-5-7-10-14-18%2822%2919%2823%2915-11-16-20%2824%2925%2Fh4-7%2C10%2C14%2C18-19%2C22-23H%2C2-3%2C8-9%2C11-13%2C15-16H2%2C1H3%2C%28H%2C24%2C25%29%2Fb6-4-%2C7-5%2B%2C14-10%2B%2Ft18-%2C19%2B%2Fm1%2Fs1

CHEBI CHEBI:41531
structure data: InChI%3D1S%2FC4H9NO2S%2Fc1-7-4%286%293%285%292-8%2Fh3%2C8H%2C2%2C5H2%2C1H3%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:59991
structure data: InChI%3D1S%2FC8H12N2O%2Fc1-10%282%298-5-3-7%289-11%294-6-8%2Fh3-6%2C9%2C11H%2C1-2H3

CHEBI CHEBI:58600
structure data: InChI%3D1S%2FC6H11N3%2Fc1-9-4-6%282-3-7%298-5-9%2Fh4-5H%2C2-3%2C7H2%2C1H3%2Fp%2B1

biopax-level3ChemicalStructure131725
structure data: <atom id="DEAMIDO-NAD-atom1" elementType="C" x2="32994.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom2" elementType="O" x2="-17392.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom3" elementType="C" x2="57924.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom4" elementType="N" x2="40526.0" y2="-41605.0" formalCharge="1"/> <atom id="DEAMIDO-NAD-atom5" elementType="O" x2="-28689.0" y2="-53436.0"/> <atom id="DEAMIDO-NAD-atom6" elementType="C" x2="-49313.0" y2="-17931.0"/> <atom id="DEAMIDO-NAD-atom7" elementType="O" x2="5021.0" y2="-38015.0"/> <atom id="DEAMIDO-NAD-atom8" elementType="O" x2="27616.0" y2="-62763.0"/> <atom id="DEAMIDO-NAD-atom9" elementType="O" x2="32097.0" y2="-45547.0"/> <atom id="DEAMIDO-NAD-atom10" elementType="C" x2="48955.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom11" elementType="N" x2="-42861.0" y2="-26718.0"/> <atom id="DEAMIDO-NAD-atom12" elementType="C" x2="36942.0" y2="-58282.0"/> <atom id="DEAMIDO-NAD-atom13" elementType="C" x2="-39095.0" y2="-48955.0"/> <atom id="DEAMIDO-NAD-atom14" elementType="C" x2="40526.0" y2="-50028.0"/> <atom id="DEAMIDO-NAD-atom15" elementType="C" x2="-25821.0" y2="-41605.0"/> <atom id="DEAMIDO-NAD-atom16" elementType="O" x2="36942.0" y2="-62763.0"/> <atom id="DEAMIDO-NAD-atom17" elementType="O" x2="-2511.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom18" elementType="O" x2="-39095.0" y2="-56305.0"/> <atom id="DEAMIDO-NAD-atom19" elementType="C" x2="41066.0" y2="-23134.0"/> <atom id="DEAMIDO-NAD-atom20" elementType="N" x2="-62763.0" y2="-17931.0"/> <atom id="DEAMIDO-NAD-atom21" elementType="C" x2="-42861.0" y2="-41605.0"/> <atom id="DEAMIDO-NAD-atom22" elementType="C" x2="48955.0" y2="-36760.0"/> <atom id="DEAMIDO-NAD-atom23" elementType="O" x2="-10940.0" y2="-53436.0" formalCharge="-1"/> <atom id="DEAMIDO-NAD-atom24" elementType="P" x2="-10940.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom25" elementType="C" x2="20084.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom26" elementType="O" x2="13808.0" y2="-45729.0"/> <atom id="DEAM…

biopax-level3ChemicalStructure160466
structure data: <cml> <molecule id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE" title="a procollagen 5-(galactosyloxy)-L-lysine" formalCharge="0" dictRef="dictPROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE"> <atomArray> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom1" elementType="N" x2="3637.0" y2="-5600.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom2" elementType="O" x2="8487.0" y2="-9800.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom3" elementType="O" x2="10912.0" y2="-4200.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom4" elementType="O" x2="0.0" y2="-3500.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom5" elementType="O" x2="3637.0" y2="0.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom6" elementType="O" x2="1212.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom7" elementType="O" x2="6062.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom8" elementType="R" x2="13337.0" y2="-5600.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom9" elementType="R" x2="7275.0" y2="-7700.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom10" elementType="C" x2="4850.0" y2="-6300.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom11" elementType="C" x2="1212.0" y2="-4200.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom12" elementType="C" x2="7275.0" y2="-6300.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom13" elementType="C" x2="8487.0" y2="-5600.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom14" elementType="N" x2="12124.0" y2="-6300.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom15" elementType="N" x2="9700.0" y2="-7700.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom16" elementType="O" x2="6062.0" y2="-4200.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom17" elementType="O" x2="3637.0" y2="-4200.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom18" elementType="C" x2="8487.0" y2="-8400.0"/> <atom id="PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE-atom19" elemen…

CHEBI CHEBI:16567
structure data: InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:57495
structure data: InChI%3D1S%2FC6H7NO3%2Fc7-5%286%289%2910%293-1-2-4-8%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29%2Fp-1%2Fb2-1-%2C5-3%2B

biopax-level3ChemicalStructure136706
structure data: <atom id="CPD-10261-atom1" elementType="C" x2="173250.0" y2="-112555.0"/> <atom id="CPD-10261-atom2" elementType="O" x2="107214.0" y2="-1006.0"/> <atom id="CPD-10261-atom3" elementType="C" x2="166080.0" y2="-108385.0"/> <atom id="CPD-10261-atom4" elementType="C" x2="165915.0" y2="-100052.0"/> <atom id="CPD-10261-atom5" elementType="C" x2="158744.0" y2="-96045.0"/> <atom id="CPD-10261-atom6" elementType="C" x2="158571.0" y2="-87713.0"/> <atom id="CPD-10261-atom7" elementType="C" x2="151409.0" y2="-83378.0"/> <atom id="CPD-10261-atom8" elementType="C" x2="151236.0" y2="-75038.0"/> <atom id="CPD-10261-atom9" elementType="C" x2="143901.0" y2="-71039.0"/> <atom id="CPD-10261-atom10" elementType="C" x2="143736.0" y2="-62698.0"/> <atom id="CPD-10261-atom11" elementType="C" x2="136564.0" y2="-58527.0"/> <atom id="CPD-10261-atom12" elementType="C" x2="136399.0" y2="-50196.0"/> <atom id="CPD-10261-atom13" elementType="C" x2="129230.0" y2="-46025.0"/> <atom id="CPD-10261-atom14" elementType="C" x2="129065.0" y2="-37684.0"/> <atom id="CPD-10261-atom15" elementType="C" x2="121894.0" y2="-33686.0"/> <atom id="CPD-10261-atom16" elementType="C" x2="121720.0" y2="-25345.0"/> <atom id="CPD-10261-atom17" elementType="C" x2="114558.0" y2="-21183.0"/> <atom id="CPD-10261-atom18" elementType="C" x2="114385.0" y2="-13006.0"/> <atom id="CPD-10261-atom19" elementType="S" x2="100043.0" y2="-13171.0"/> <atom id="CPD-10261-atom20" elementType="C" x2="107214.0" y2="-9174.0"/> <atom id="CPD-10261-atom21" elementType="O" x2="107413.0" y2="-25308.0"/> <atom id="CPD-10261-atom22" elementType="C" x2="47497.0" y2="34560.0"/> <atom id="CPD-10261-atom23" elementType="O" x2="15461.0" y2="15602.0" formalCharge="-1"/> <atom id="CPD-10261-atom24" elementType="O" x2="49990.0" y2="49047.0"/> <atom id="CPD-10261-atom25" elementType="O" x2="29062.0" y2="657.0" formalCharge="-1"/> <atom id="CPD-10261-atom26" elementType="N" x2="55307.0" y2="31906.0"/> <atom id="CPD-10261-atom27" elementType="N" x2="63018.0" y2=…

biopax-level3ChemicalStructure169363
structure data: <atom id="CPD-4568-atom1" elementType="C" x2="8882.0" y2="-3417.0"/> <atom id="CPD-4568-atom2" elementType="C" x2="7820.0" y2="-2461.0"/> <atom id="CPD-4568-atom3" elementType="C" x2="4805.0" y2="-4742.0"/> <atom id="CPD-4568-atom4" elementType="C" x2="845.0" y2="0.0"/> <atom id="CPD-4568-atom5" elementType="C" x2="2012.0" y2="0.0"/> <atom id="CPD-4568-atom6" elementType="C" x2="2143.0" y2="-2645.0"/> <atom id="CPD-4568-atom7" elementType="C" x2="4404.0" y2="-3910.0"/> <atom id="CPD-4568-atom8" elementType="O" x2="5133.0" y2="-1059.0"/> <atom id="CPD-4568-atom9" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-4568-atom10" elementType="C" x2="7523.0" y2="-3859.0"/> <atom id="CPD-4568-atom11" elementType="C" x2="6716.0" y2="-3687.0"/> <atom id="CPD-4568-atom12" elementType="C" x2="4404.0" y2="-1444.0"/> <atom id="CPD-4568-atom13" elementType="C" x2="3572.0" y2="-996.0"/> <atom id="CPD-4568-atom14" elementType="C" x2="2889.0" y2="-3089.0"/> <atom id="CPD-4568-atom15" elementType="C" x2="6164.0" y2="-4300.0"/> <atom id="CPD-4568-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-4568-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-4568-atom18" elementType="C" x2="5587.0" y2="-2677.0"/> <atom id="CPD-4568-atom19" elementType="C" x2="3603.0" y2="-3502.0"/> <atom id="CPD-4568-atom20" elementType="C" x2="1428.0" y2="-2233.0"/> <atom id="CPD-4568-atom21" elementType="C" x2="5102.0" y2="-2010.0"/> <atom id="CPD-4568-atom22" elementType="C" x2="8075.0" y2="-3246.0"/> <atom id="CPD-4568-atom23" elementType="C" x2="2889.0" y2="-2264.0"/> <atom id="CPD-4568-atom24" elementType="C" x2="3603.0" y2="-1852.0"/> <atom id="CPD-4568-atom25" elementType="C" x2="5357.0" y2="-4129.0"/> <atom id="CPD-4568-atom26" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-4568-atom27" elementType="C" x2="5102.0" y2="-3344.0"/> <atom id="CPD-4568-atom28" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-4568-atom29" elementType="C" x2="1428.0" y2="-583.0"/>…

CHEBI CHEBI:15786
structure data: InChI%3D1S%2FC9H20N2O3%2Fc1-11%282%2C3%296-4-5-7%2812%298%2810%299%2813%2914%2Fh7-8%2C12H%2C4-6%2C10H2%2C1-3H3%2Fp%2B1%2Ft7%3F%2C8-%2Fm0%2Fs1

CHEBI CHEBI:57515
structure data: InChI%3D1S%2FC9H20N2O3%2Fc1-11%282%2C3%296-4-5-7%2812%298%2810%299%2813%2914%2Fh7-8%2C12H%2C4-6%2C10H2%2C1-3H3%2Fp%2B1%2Ft7%3F%2C8-%2Fm0%2Fs1

biopax-level3ChemicalStructure161174
structure data: <atom id="Heparan-glucuronate-terminal-atom1" elementType="O" x2="-2567.0" y2="1456.0"/> <atom id="Heparan-glucuronate-terminal-atom2" elementType="O" x2="-4002.0" y2="1456.0"/> <atom id="Heparan-glucuronate-terminal-atom3" elementType="O" x2="-3977.0" y2="4038.0"/> <atom id="Heparan-glucuronate-terminal-atom4" elementType="O" x2="-5419.0" y2="3106.0"/> <atom id="Heparan-glucuronate-terminal-atom5" elementType="O" x2="-6052.0" y2="1988.0"/> <atom id="Heparan-glucuronate-terminal-atom6" elementType="C" x2="-2566.0" y2="3108.0"/> <atom id="Heparan-glucuronate-terminal-atom7" elementType="Heparan-Sulfate" x2="-1369.0" y2="554.0"/> <atom id="Heparan-glucuronate-terminal-atom8" elementType="C" x2="-3279.0" y2="1866.0"/> <atom id="Heparan-glucuronate-terminal-atom9" elementType="C" x2="-3279.0" y2="2693.0"/> <atom id="Heparan-glucuronate-terminal-atom10" elementType="C" x2="-4002.0" y2="3106.0"/> <atom id="Heparan-glucuronate-terminal-atom11" elementType="C" x2="-4714.0" y2="2693.0"/> <atom id="Heparan-glucuronate-terminal-atom12" elementType="C" x2="-4714.0" y2="1866.0"/> <atom id="Heparan-glucuronate-terminal-atom13" elementType="C" x2="-5419.0" y2="1456.0"/> <atom id="Heparan-glucuronate-terminal-atom14" elementType="O" x2="-5831.0" y2="742.0" formalCharge="-1"/> <bond id="Heparan-glucuronate-terminal-bond1" atomRefs="Heparan-glucuronate-terminal-atom1 Heparan-glucuronate-terminal-atom7" order="1"/> <bond id="Heparan-glucuronate-terminal-bond2" atomRefs="Heparan-glucuronate-terminal-atom8 Heparan-glucuronate-terminal-atom1" order="1"/> <bond id="Heparan-glucuronate-terminal-bond3" atomRefs="Heparan-glucuronate-terminal-atom2 Heparan-glucuronate-terminal-atom8" order="1"/> <bond id="Heparan-glucuronate-terminal-bond4" atomRefs="Heparan-glucuronate-terminal-atom2 Heparan-glucuronate-terminal-atom12" order="1"/> <bond id="Heparan-glucuronate-terminal-bond5" atomRefs="Heparan-glucuronate-terminal-atom10 Heparan-glucuronate-terminal-atom3" order="1"/> <bond id="Heparan-gluc…

biopax-level3ChemicalStructure145411
structure data: <cml> <molecule id="Protein-Tyrosines" title="a [protein]-L-tyrosine" formalCharge="0" dictRef="dictProtein-Tyrosines"> <atomArray> <atom id="Protein-Tyrosines-atom1" elementType="C" x2="-3047.0" y2="-20433.0"/> <atom id="Protein-Tyrosines-atom2" elementType="O" x2="19164.0" y2="-2538.0"/> <atom id="Protein-Tyrosines-atom3" elementType="C" x2="-17261.0" y2="-12311.0"/> <atom id="Protein-Tyrosines-atom4" elementType="C" x2="11169.0" y2="-12183.0"/> <atom id="Protein-Tyrosines-atom5" elementType="C" x2="4061.0" y2="-7995.0"/> <atom id="Protein-Tyrosines-atom6" elementType="C" x2="-3047.0" y2="-12183.0"/> <atom id="Protein-Tyrosines-atom7" elementType="C" x2="-17261.0" y2="-20306.0"/> <atom id="Protein-Tyrosines-atom8" elementType="C" x2="-10153.0" y2="-8122.0"/> <atom id="Protein-Tyrosines-atom9" elementType="C" x2="-10153.0" y2="-24494.0"/> <atom id="Protein-Tyrosines-atom10" elementType="C" x2="19164.0" y2="-7360.0"/> <atom id="Protein-Tyrosines-atom11" elementType="N" x2="11169.0" y2="-17641.0"/> <atom id="Protein-Tyrosines-atom12" elementType="Protein" x2="12878.0" y2="-30619.0"/> <atom id="Protein-Tyrosines-atom13" elementType="C" x2="17003.0" y2="-23475.0"/> <atom id="Protein-Tyrosines-atom14" elementType="O" x2="25253.0" y2="-23475.0"/> <atom id="Protein-Tyrosines-atom15" elementType="N" x2="25214.0" y2="-12969.0"/> <atom id="Protein-Tyrosines-atom16" elementType="Protein" x2="32359.0" y2="-8844.0"/> <atom id="Protein-Tyrosines-atom17" elementType="O" x2="-24561.0" y2="-24149.0"/> </atomArray> <bondArray> <bond id="Protein-Tyrosines-bond1" atomRefs="Protein-Tyrosines-atom15 Protein-Tyrosines-atom16" order="1"/> <bond id="Protein-Tyrosines-bond2" atomRefs="Protein-Tyrosines-atom13 Protein-Tyrosines-atom14" order="2"/> <bond id="Protein-Tyrosines-bond3" atomRefs="Protein-Tyrosines-atom13 Protein-Tyrosines-atom12" order="1"/> <bond id="Protein-Tyrosines-bond4" atomRefs="Protein-Tyrosines-atom11 Protein-Tyrosines-atom13" order="1"/> <bond id="Protein-Tyrosines-bond…

CHEBI CHEBI:17976
structure data: InChI%3D1S%2FC14H20O4%2Fc1-8%282%296-7-10-9%283%2911%2815%2913%2817-4%2914%2818-5%2912%2810%2916%2Fh6%2C15-16H%2C7H2%2C1-5H3

CHEBI CHEBI:27910
structure data: InChI%3D1S%2FC27H42O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh7%2C9-10%2C19%2C21%2C23-25%2C28H%2C6%2C8%2C11-17H2%2C1-5H3%2Ft19-%2C21%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

biopax-level3ChemicalStructure147300
structure data: <cml> <molecule id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH" title="1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate" formalCharge="-5" dictRef="dict1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH"> <atomArray> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom1" elementType="O" x2="8632.0" y2="-1267.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom2" elementType="O" x2="9045.0" y2="-3411.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom3" elementType="O" x2="840.0" y2="-4935.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom4" elementType="O" x2="3078.0" y2="0.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom5" elementType="O" x2="5332.0" y2="-3300.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom6" elementType="O" x2="1650.0" y2="-2475.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom7" elementType="O" x2="3078.0" y2="-4950.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom8" elementType="O" x2="4507.0" y2="-2475.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom9" elementType="O" x2="840.0" y2="-3285.0" formalCharge="-1"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom10" elementType="O" x2="0.0" y2="-4119.0" formalCharge="-1"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom11" elementType="O" x2="3903.0" y2="-825.0" formalCharge="-1"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom12" elementType="O" x2="2253.0" y2="-825.0" formalCharge="-1"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom13" elementType="O" x2="5332.0" y2="-4950.0" formalCharge="-1"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom14" elementType="R" x2="9870.0" y2="-1982.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom15" elementType="R" x2="9045.0" y2="-4839.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom16" elementType="C" x2="7807.0" y2="-2696.0"/> <atom id="1-PHOSPHATIDYL-1D-MYO-INOSITOL-35-BISPH-atom17" elementType="C" x2="6570.0" y2="-3411.0"/> <atom id="1…

CHEBI CHEBI:36812
structure data: InChI%3D1S%2FC11H14O%2Fc1-2-3-9-11%2812%2910-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3

CHEBI CHEBI:8499
structure data: InChI%3D1S%2FC16H21NO2%2Fc1-12%282%2917-10-14%2818%2911-19-16-9-5-7-13-6-3-4-8-15%2813%2916%2Fh3-9%2C12%2C14%2C17-18H%2C10-11H2%2C1-2H3

CHEBI CHEBI:39248
structure data: InChI%3D1S%2FC21H42O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21%2822%2923%2Fh2-20H2%2C1H3%2C%28H%2C22%2C23%29

biopax-level3ChemicalStructure130226
structure data: <atom id="THR-atom1" elementType="O" x2="1614.0" y2="1076.0" formalCharge="-1"/> <atom id="THR-atom2" elementType="C" x2="1542.0" y2="1036.0"/> <atom id="THR-atom3" elementType="C" x2="1470.0" y2="1076.0"/> <atom id="THR-atom4" elementType="C" x2="1400.0" y2="1036.0"/> <atom id="THR-atom5" elementType="C" x2="1328.0" y2="1076.0"/> <atom id="THR-atom6" elementType="O" x2="1542.0" y2="953.0"/> <atom id="THR-atom7" elementType="N" x2="1470.0" y2="1159.0" formalCharge="1"/> <atom id="THR-atom8" elementType="O" x2="1400.0" y2="953.0"/> <bond id="THR-bond1" atomRefs="THR-atom1 THR-atom2" order="1"/> <bond id="THR-bond2" atomRefs="THR-atom2 THR-atom3" order="1"/> <bond id="THR-bond3" atomRefs="THR-atom3 THR-atom4" order="1"/> <bond id="THR-bond4" atomRefs="THR-atom4 THR-atom5" order="1"/> <bond id="THR-bond5" atomRefs="THR-atom2 THR-atom6" order="2"/> <bond id="THR-bond6" atomRefs="THR-atom3 THR-atom7" order="1"/> <bond id="THR-bond7" atomRefs="THR-atom4 THR-atom8" order="1"/> <formula concise="H 9 N 1 C 4 O 3"/> 119.12 CC(O)C([N+])C(=O)[O-]

CHEBI CHEBI:17931
structure data: InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3

CHEBI CHEBI:28397
structure data: InChI%3D1S%2FC5H9NO3%2Fc7-3-1-4%285%288%299%296-2-3%2Fh3-4%2C6-7H%2C1-2H2%2C%28H%2C8%2C9%29%2Ft3-%2C4-%2Fm0%2Fs1

CHEBI CHEBI:41509
structure data: InChI%3D1S%2FC45H76O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43%2846%2947-38-30-32-44%285%2937%2834-38%2926-27-39-41-29-28-40%2836%284%2924-22-23-35%282%293%2945%2841%2C6%2933-31-42%2839%2944%2Fh11-12%2C14-15%2C26%2C35-36%2C38-42H%2C7-10%2C13%2C16-25%2C27-34H2%2C1-6H3%2Fb12-11-%2C15-14-%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C44%2B%2C45-%2Fm1%2Fs1

biopax-level3ChemicalStructure168935
structure data: <atom id="P-CHLOROPHENYLALANINE-atom1" elementType="C" x2="-18751.0" y2="-14019.0"/> <atom id="P-CHLOROPHENYLALANINE-atom2" elementType="CL" x2="-26810.0" y2="-14019.0"/> <atom id="P-CHLOROPHENYLALANINE-atom3" elementType="C" x2="-14456.0" y2="-6922.0"/> <atom id="P-CHLOROPHENYLALANINE-atom4" elementType="C" x2="19976.0" y2="-18751.0"/> <atom id="P-CHLOROPHENYLALANINE-atom5" elementType="N" x2="11740.0" y2="-5694.0" formalCharge="1"/> <atom id="P-CHLOROPHENYLALANINE-atom6" elementType="C" x2="4292.0" y2="-18223.0"/> <atom id="P-CHLOROPHENYLALANINE-atom7" elementType="C" x2="11740.0" y2="-13756.0"/> <atom id="P-CHLOROPHENYLALANINE-atom8" elementType="C" x2="-6397.0" y2="-21204.0"/> <atom id="P-CHLOROPHENYLALANINE-atom9" elementType="O" x2="26722.0" y2="-14456.0" formalCharge="-1"/> <atom id="P-CHLOROPHENYLALANINE-atom10" elementType="O" x2="19976.0" y2="-26810.0"/> <atom id="P-CHLOROPHENYLALANINE-atom11" elementType="C" x2="-14544.0" y2="-21204.0"/> <atom id="P-CHLOROPHENYLALANINE-atom12" elementType="C" x2="-6308.0" y2="-6922.0"/> <atom id="P-CHLOROPHENYLALANINE-atom13" elementType="C" x2="-2190.0" y2="-14019.0"/> <bond id="P-CHLOROPHENYLALANINE-bond1" atomRefs="P-CHLOROPHENYLALANINE-atom13 P-CHLOROPHENYLALANINE-atom6" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond2" atomRefs="P-CHLOROPHENYLALANINE-atom13 P-CHLOROPHENYLALANINE-atom12" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond3" atomRefs="P-CHLOROPHENYLALANINE-atom11 P-CHLOROPHENYLALANINE-atom8" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond4" atomRefs="P-CHLOROPHENYLALANINE-atom10 P-CHLOROPHENYLALANINE-atom4" order="2"/> <bond id="P-CHLOROPHENYLALANINE-bond5" atomRefs="P-CHLOROPHENYLALANINE-atom9 P-CHLOROPHENYLALANINE-atom4" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond6" atomRefs="P-CHLOROPHENYLALANINE-atom8 P-CHLOROPHENYLALANINE-atom13" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond7" atomRefs="P-CHLOROPHENYLALANINE-atom7 P-CHLOROPHENYLALANINE-atom4" order="1"/> <bond id="P-CHLOROPHENYLALANINE-bond…

CHEBI CHEBI:16265
structure data: InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)

CHEBI CHEBI:16521
structure data: InChI%3D1S%2FC30H50O%2Fc1-20%282%2910-9-11-21%283%2922-14-18-30%288%2924-12-13-25-27%284%2C5%2926%2831%2916-17-28%2825%2C6%2923%2824%2915-19-29%2822%2C30%297%2Fh10%2C21-22%2C25-26%2C31H%2C9%2C11-19H2%2C1-8H3%2Ft21-%2C22-%2C25%2B%2C26%2B%2C28-%2C29-%2C30%2B%2Fm1%2Fs1

CHEBI CHEBI:28549
structure data: InChI%3D1S%2FC12H11NO3%2Fc1-7%2811%2814%2912%2815%2916%299-6-13-10-5-3-2-4-8%289%2910%2Fh2-7%2C13H%2C1H3%2C%28H%2C15%2C16%29

CHEBI CHEBI:59019
structure data: InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

CHEBI CHEBI:16136
structure data: InChI%3D1S%2FH2S%2Fh1H2

biopax-level3ChemicalStructure136880
structure data: <atom id="CPD-5881-atom1" elementType="C" x2="5716.0" y2="-1650.0"/> <atom id="CPD-5881-atom2" elementType="N" x2="0.0" y2="0.0"/> <atom id="CPD-5881-atom3" elementType="O" x2="1429.0" y2="-2475.0"/> <atom id="CPD-5881-atom4" elementType="O" x2="5001.0" y2="-412.0"/> <atom id="CPD-5881-atom5" elementType="O" x2="5001.0" y2="-2062.0"/> <atom id="CPD-5881-atom6" elementType="O" x2="2143.0" y2="-2062.0"/> <atom id="CPD-5881-atom7" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-5881-atom8" elementType="N" x2="714.0" y2="-1238.0"/> <atom id="CPD-5881-atom9" elementType="N" x2="1429.0" y2="0.0"/> <atom id="CPD-5881-atom10" elementType="N" x2="2858.0" y2="0.0"/> <atom id="CPD-5881-atom11" elementType="N" x2="2858.0" y2="-1650.0"/> <atom id="CPD-5881-atom12" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-5881-atom13" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-5881-atom14" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-5881-atom15" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-5881-atom16" elementType="C" x2="5001.0" y2="-1238.0"/> <atom id="CPD-5881-atom17" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="CPD-5881-atom18" elementType="C" x2="2143.0" y2="-1238.0"/> <bond id="CPD-5881-bond1" atomRefs="CPD-5881-atom16 CPD-5881-atom17" order="1"/> <bond id="CPD-5881-bond2" atomRefs="CPD-5881-atom15 CPD-5881-atom17" order="1"/> <bond id="CPD-5881-bond3" atomRefs="CPD-5881-atom14 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond4" atomRefs="CPD-5881-atom13 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond5" atomRefs="CPD-5881-atom11 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond6" atomRefs="CPD-5881-atom11 CPD-5881-atom15" order="1"/> <bond id="CPD-5881-bond7" atomRefs="CPD-5881-atom10 CPD-5881-atom14" order="1"/> <bond id="CPD-5881-bond8" atomRefs="CPD-5881-atom9 CPD-5881-atom14" order="2"/> <bond id="CPD-5881-bond9" atomRefs="CPD-5881-atom9 CPD-5881-atom12" order="1"/> <bond id="CPD-5881-bond10" atomRefs="CPD-58…

biopax-level3ChemicalStructure173346
structure data: <cml> <molecule id="11-Beta-Hydroxysteroids1" title="an 11-beta-hydroxysteroid" formalCharge="0" dictRef="dict11-Beta-Hydroxysteroids1"> <atomArray> <atom id="11-Beta-Hydroxysteroids1-atom1" elementType="C" x2="6062.0" y2="-5600.0"/> <atom id="11-Beta-Hydroxysteroids1-atom2" elementType="C" x2="2425.0" y2="-3500.0"/> <atom id="11-Beta-Hydroxysteroids1-atom3" elementType="O" x2="2425.0" y2="-4900.0"/> <atom id="11-Beta-Hydroxysteroids1-atom4" elementType="R" x2="7826.0" y2="-5964.0"/> <atom id="11-Beta-Hydroxysteroids1-atom5" elementType="C" x2="0.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom6" elementType="C" x2="0.0" y2="-2100.0"/> <atom id="11-Beta-Hydroxysteroids1-atom7" elementType="C" x2="1212.0" y2="0.0"/> <atom id="11-Beta-Hydroxysteroids1-atom8" elementType="C" x2="8217.0" y2="-3500.0"/> <atom id="11-Beta-Hydroxysteroids1-atom9" elementType="C" x2="3637.0" y2="0.0"/> <atom id="11-Beta-Hydroxysteroids1-atom10" elementType="C" x2="4850.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom11" elementType="C" x2="7394.0" y2="-2367.0"/> <atom id="11-Beta-Hydroxysteroids1-atom12" elementType="C" x2="1212.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom13" elementType="C" x2="4850.0" y2="-4900.0"/> <atom id="11-Beta-Hydroxysteroids1-atom14" elementType="C" x2="3637.0" y2="-4200.0"/> <atom id="11-Beta-Hydroxysteroids1-atom15" elementType="C" x2="7394.0" y2="-4633.0"/> <atom id="11-Beta-Hydroxysteroids1-atom16" elementType="C" x2="2425.0" y2="-700.0"/> <atom id="11-Beta-Hydroxysteroids1-atom17" elementType="C" x2="4850.0" y2="-2100.0"/> <atom id="11-Beta-Hydroxysteroids1-atom18" elementType="C" x2="6062.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom19" elementType="C" x2="3637.0" y2="-2800.0"/> <atom id="11-Beta-Hydroxysteroids1-atom20" elementType="C" x2="6062.0" y2="-4200.0"/> <atom id="11-Beta-Hydroxysteroids1-atom21" elementType="C" x2="2425.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="11-Beta-Hydroxysteroids1-bond1" atom…

biopax-level3ChemicalStructure140490
structure data: <atom id="DEOXYCYTIDINE-atom1" elementType="N" x2="3383.0" y2="-5079.0"/> <atom id="DEOXYCYTIDINE-atom2" elementType="O" x2="1962.0" y2="-2612.0"/> <atom id="DEOXYCYTIDINE-atom3" elementType="O" x2="0.0" y2="-1157.0"/> <atom id="DEOXYCYTIDINE-atom4" elementType="O" x2="1156.0" y2="0.0"/> <atom id="DEOXYCYTIDINE-atom5" elementType="C" x2="4104.0" y2="-3848.0"/> <atom id="DEOXYCYTIDINE-atom6" elementType="C" x2="4104.0" y2="-3018.0"/> <atom id="DEOXYCYTIDINE-atom7" elementType="C" x2="612.0" y2="-1704.0"/> <atom id="DEOXYCYTIDINE-atom8" elementType="C" x2="2465.0" y2="-662.0"/> <atom id="DEOXYCYTIDINE-atom9" elementType="N" x2="2675.0" y2="-3848.0"/> <atom id="DEOXYCYTIDINE-atom10" elementType="O" x2="2050.0" y2="-1924.0"/> <atom id="DEOXYCYTIDINE-atom11" elementType="C" x2="3385.0" y2="-4258.0"/> <atom id="DEOXYCYTIDINE-atom12" elementType="C" x2="2675.0" y2="-3018.0"/> <atom id="DEOXYCYTIDINE-atom13" elementType="C" x2="1640.0" y2="-662.0"/> <atom id="DEOXYCYTIDINE-atom14" elementType="C" x2="1391.0" y2="-1447.0"/> <atom id="DEOXYCYTIDINE-atom15" elementType="C" x2="2718.0" y2="-1447.0"/> <atom id="DEOXYCYTIDINE-atom16" elementType="N" x2="3384.0" y2="-2597.0"/> <bond id="DEOXYCYTIDINE-bond1" atomRefs="DEOXYCYTIDINE-atom15 DEOXYCYTIDINE-atom16" order="1"/> <bond id="DEOXYCYTIDINE-bond2" atomRefs="DEOXYCYTIDINE-atom13 DEOXYCYTIDINE-atom14" order="1"/> <bond id="DEOXYCYTIDINE-bond3" atomRefs="DEOXYCYTIDINE-atom12 DEOXYCYTIDINE-atom16" order="1"/> <bond id="DEOXYCYTIDINE-bond4" atomRefs="DEOXYCYTIDINE-atom10 DEOXYCYTIDINE-atom15" order="1"/> <bond id="DEOXYCYTIDINE-bond5" atomRefs="DEOXYCYTIDINE-atom10 DEOXYCYTIDINE-atom14" order="1"/> <bond id="DEOXYCYTIDINE-bond6" atomRefs="DEOXYCYTIDINE-atom9 DEOXYCYTIDINE-atom12" order="1"/> <bond id="DEOXYCYTIDINE-bond7" atomRefs="DEOXYCYTIDINE-atom11 DEOXYCYTIDINE-atom9" order="2"/> <bond id="DEOXYCYTIDINE-bond8" atomRefs="DEOXYCYTIDINE-atom8 DEOXYCYTIDINE-atom15" order="1"/> <bond id="DEOXYCYTIDINE-bond9" atomRefs="DEOXYCYTIDINE…

CHEBI CHEBI:4828
structure data: InChI%3D1S%2FC9H15N3O2S%2Fc1-12%282%2C3%297%288%2813%2914%294-6-5-10-9%2815%2911-6%2Fh5%2C7H%2C4H2%2C1-3H3%2C%28H2-%2C10%2C11%2C13%2C14%2C15%29%2Ft7-%2Fm0%2Fs1

biopax-level3ChemicalStructure136888
structure data: <atom id="BIOPTERIN-atom1" elementType="C" x2="24898.0" y2="-16868.0"/> <atom id="BIOPTERIN-atom2" elementType="C" x2="8116.0" y2="-8434.0"/> <atom id="BIOPTERIN-atom3" elementType="C" x2="-13186.0" y2="-20606.0"/> <atom id="BIOPTERIN-atom4" elementType="C" x2="-6056.0" y2="-8434.0"/> <atom id="BIOPTERIN-atom5" elementType="O" x2="16811.0" y2="-30344.0"/> <atom id="BIOPTERIN-atom6" elementType="C" x2="-6056.0" y2="-16607.0"/> <atom id="BIOPTERIN-atom7" elementType="N" x2="901.0" y2="-20606.0"/> <atom id="BIOPTERIN-atom8" elementType="C" x2="-20401.0" y2="-8434.0"/> <atom id="BIOPTERIN-atom9" elementType="N" x2="-27357.0" y2="-3391.0"/> <atom id="BIOPTERIN-atom10" elementType="O" x2="-13186.0" y2="-29127.0"/> <atom id="BIOPTERIN-atom11" elementType="C" x2="16811.0" y2="-21824.0"/> <atom id="BIOPTERIN-atom12" elementType="N" x2="-13186.0" y2="-4434.0"/> <atom id="BIOPTERIN-atom13" elementType="O" x2="24898.0" y2="-8347.0"/> <atom id="BIOPTERIN-atom14" elementType="C" x2="31940.0" y2="-21824.0"/> <atom id="BIOPTERIN-atom15" elementType="C" x2="8116.0" y2="-16607.0"/> <atom id="BIOPTERIN-atom16" elementType="N" x2="901.0" y2="-4434.0"/> <atom id="BIOPTERIN-atom17" elementType="N" x2="-20401.0" y2="-16607.0"/> <bond id="BIOPTERIN-bond1" atomRefs="BIOPTERIN-atom17 BIOPTERIN-atom3" order="1"/> <bond id="BIOPTERIN-bond2" atomRefs="BIOPTERIN-atom16 BIOPTERIN-atom4" order="1"/> <bond id="BIOPTERIN-bond3" atomRefs="BIOPTERIN-atom15 BIOPTERIN-atom7" order="2"/> <bond id="BIOPTERIN-bond4" atomRefs="BIOPTERIN-atom15 BIOPTERIN-atom2" order="1"/> <bond id="BIOPTERIN-bond5" atomRefs="BIOPTERIN-atom14 BIOPTERIN-atom1" order="1"/> <bond id="BIOPTERIN-bond6" atomRefs="BIOPTERIN-atom13 BIOPTERIN-atom1" order="1"/> <bond id="BIOPTERIN-bond7" atomRefs="BIOPTERIN-atom12 BIOPTERIN-atom8" order="2"/> <bond id="BIOPTERIN-bond8" atomRefs="BIOPTERIN-atom11 BIOPTERIN-atom15" order="1"/> <bond id="BIOPTERIN-bond9" atomRefs="BIOPTERIN-atom10 BIOPTERIN-atom3" order="2"/> <bond id="BIOPTERIN-bond10"…

CHEBI CHEBI:64783
structure data: InChI%3D1S%2FC15H24O%2Fc1-10-4-6-13-11%282%295-7-14%2812%283%299-16%2915%2813%298-10%2Fh8%2C11%2C13-16H%2C3-7%2C9H2%2C1-2H3%2Ft11-%2C13%2B%2C14%2B%2C15%2B%2Fm1%2Fs1

CHEBI CHEBI:5615
structure data: InChI%3D1S%2FC2HBrClF3%2Fc3-1%284%292%285%2C6%297%2Fh1H

biopax-level3ChemicalStructure173415
structure data: <atom id="ANDROSTERONE-atom1" elementType="C" x2="5355.0" y2="10151.0"/> <atom id="ANDROSTERONE-atom2" elementType="C" x2="-1790.0" y2="-10474.0"/> <atom id="ANDROSTERONE-atom3" elementType="C" x2="-1790.0" y2="14276.0"/> <atom id="ANDROSTERONE-atom4" elementType="C" x2="-8935.0" y2="10151.0"/> <atom id="ANDROSTERONE-atom5" elementType="C" x2="-16080.0" y2="-2224.0"/> <atom id="ANDROSTERONE-atom6" elementType="C" x2="5355.0" y2="-14599.0"/> <atom id="ANDROSTERONE-atom7" elementType="C" x2="-16080.0" y2="14276.0"/> <atom id="ANDROSTERONE-atom8" elementType="C" x2="-23224.0" y2="1901.0"/> <atom id="ANDROSTERONE-atom9" elementType="C" x2="-23224.0" y2="10151.0"/> <atom id="ANDROSTERONE-atom10" elementType="O" x2="-30369.0" y2="14276.0"/> <atom id="ANDROSTERONE-atom11" elementType="H" x2="-8935.0" y2="18401.0"/> <atom id="ANDROSTERONE-atom12" elementType="C" x2="20346.0" y2="325.0"/> <atom id="ANDROSTERONE-atom13" elementType="C" x2="25195.0" y2="-6349.0"/> <atom id="ANDROSTERONE-atom14" elementType="C" x2="20346.0" y2="-13024.0"/> <atom id="ANDROSTERONE-atom15" elementType="O" x2="22895.0" y2="-20870.0"/> <atom id="ANDROSTERONE-atom16" elementType="C" x2="-1790.0" y2="-2224.0"/> <atom id="ANDROSTERONE-atom17" elementType="H" x2="-1790.0" y2="6026.0"/> <atom id="ANDROSTERONE-atom18" elementType="C" x2="5355.0" y2="1901.0"/> <atom id="ANDROSTERONE-atom19" elementType="H" x2="5355.0" y2="-6349.0"/> <atom id="ANDROSTERONE-atom20" elementType="C" x2="-8935.0" y2="1901.0"/> <atom id="ANDROSTERONE-atom21" elementType="C" x2="-8935.0" y2="-6349.0"/> <atom id="ANDROSTERONE-atom22" elementType="C" x2="12499.0" y2="-10474.0"/> <atom id="ANDROSTERONE-atom23" elementType="C" x2="12499.0" y2="-18724.0"/> <atom id="ANDROSTERONE-atom24" elementType="C" x2="12499.0" y2="-2224.0"/> <atom id="ANDROSTERONE-atom25" elementType="H" x2="12499.0" y2="6026.0"/> <bond id="ANDROSTERONE-bond1" atomRefs="ANDROSTERONE-atom18 ANDROSTERONE-atom16" order="1"/> <bond id="ANDROSTERONE-bond2" atomRefs="A…

CHEBI CHEBI:34292
structure data: InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure169341
structure data: <atom id="CPD-4573-atom1" elementType="C" x2="8882.0" y2="-3417.0"/> <atom id="CPD-4573-atom2" elementType="C" x2="7820.0" y2="-2461.0"/> <atom id="CPD-4573-atom3" elementType="C" x2="4805.0" y2="-4742.0"/> <atom id="CPD-4573-atom4" elementType="C" x2="845.0" y2="0.0"/> <atom id="CPD-4573-atom5" elementType="C" x2="2012.0" y2="0.0"/> <atom id="CPD-4573-atom6" elementType="C" x2="2143.0" y2="-2645.0"/> <atom id="CPD-4573-atom7" elementType="C" x2="4404.0" y2="-3910.0"/> <atom id="CPD-4573-atom8" elementType="O" x2="5133.0" y2="-1059.0"/> <atom id="CPD-4573-atom9" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-4573-atom10" elementType="C" x2="4404.0" y2="-1444.0"/> <atom id="CPD-4573-atom11" elementType="C" x2="7523.0" y2="-3859.0"/> <atom id="CPD-4573-atom12" elementType="C" x2="6716.0" y2="-3687.0"/> <atom id="CPD-4573-atom13" elementType="C" x2="3572.0" y2="-996.0"/> <atom id="CPD-4573-atom14" elementType="C" x2="2889.0" y2="-3089.0"/> <atom id="CPD-4573-atom15" elementType="C" x2="6164.0" y2="-4300.0"/> <atom id="CPD-4573-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-4573-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-4573-atom18" elementType="C" x2="5587.0" y2="-2677.0"/> <atom id="CPD-4573-atom19" elementType="C" x2="3603.0" y2="-3502.0"/> <atom id="CPD-4573-atom20" elementType="C" x2="1428.0" y2="-2233.0"/> <atom id="CPD-4573-atom21" elementType="C" x2="5102.0" y2="-2010.0"/> <atom id="CPD-4573-atom22" elementType="C" x2="8075.0" y2="-3246.0"/> <atom id="CPD-4573-atom23" elementType="C" x2="2889.0" y2="-2264.0"/> <atom id="CPD-4573-atom24" elementType="C" x2="3603.0" y2="-1852.0"/> <atom id="CPD-4573-atom25" elementType="C" x2="5357.0" y2="-4129.0"/> <atom id="CPD-4573-atom26" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-4573-atom27" elementType="C" x2="5102.0" y2="-3344.0"/> <atom id="CPD-4573-atom28" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-4573-atom29" elementType="C" x2="1428.0" y2="-583.0"/>…

CHEBI CHEBI:58815
structure data: InChI%3D1S%2FC6H10O3S%2Fc1-10-4-2-3-5%287%296%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure170510
structure data: <cml> <molecule id="PROCOLLAGEN-L-LYSINE" title="a procollagen-L-lysine" formalCharge="0" dictRef="dictPROCOLLAGEN-L-LYSINE"> <atomArray> <atom id="PROCOLLAGEN-L-LYSINE-atom1" elementType="N" x2="9700.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom2" elementType="O" x2="4363.0" y2="-6104.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom3" elementType="O" x2="2425.0" y2="0.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom4" elementType="R" x2="0.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom5" elementType="R" x2="5161.0" y2="-3562.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom6" elementType="C" x2="8487.0" y2="-2100.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom7" elementType="C" x2="7275.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom8" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom9" elementType="C" x2="4850.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom10" elementType="N" x2="1212.0" y2="-2100.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom11" elementType="N" x2="3637.0" y2="-3500.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom12" elementType="C" x2="4352.0" y2="-4704.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom13" elementType="C" x2="2425.0" y2="-1400.0"/> <atom id="PROCOLLAGEN-L-LYSINE-atom14" elementType="C" x2="3637.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="PROCOLLAGEN-L-LYSINE-bond1" atomRefs="PROCOLLAGEN-L-LYSINE-atom13 PROCOLLAGEN-L-LYSINE-atom14" order="1"/> <bond id="PROCOLLAGEN-L-LYSINE-bond2" atomRefs="PROCOLLAGEN-L-LYSINE-atom14 PROCOLLAGEN-L-LYSINE-atom11" order="1"/> <bond id="PROCOLLAGEN-L-LYSINE-bond3" atomRefs="PROCOLLAGEN-L-LYSINE-atom11 PROCOLLAGEN-L-LYSINE-atom12" order="1"/> <bond id="PROCOLLAGEN-L-LYSINE-bond4" atomRefs="PROCOLLAGEN-L-LYSINE-atom10 PROCOLLAGEN-L-LYSINE-atom13" order="1"/> <bond id="PROCOLLAGEN-L-LYSINE-bond5" atomRefs="PROCOLLAGEN-L-LYSINE-atom9 PROCOLLAGEN-L-LYSINE-atom14" order="1"/> <bond id="PROCOLLAGEN-L-LYSINE-bond6" atomRefs="PROCOLLAGEN-L-LYSINE-atom8 PROCOLLAGEN-L-LYSINE-atom9" order="1"/> <bond …

biopax-level3ChemicalStructure170819
structure data: <cml> <molecule id="2R-HYDROPEROXY-FATTY-ACIDS" title="a 2(R)-hydroperoxy fatty acid" formalCharge="-1"> <atomArray> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom1" elementType="O" x2="830.0" y2="-2700.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom2" elementType="O" x2="2182.0" y2="0.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom3" elementType="O" x2="0.0" y2="-1225.0" formalCharge="-1"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom4" elementType="C" x2="2245.0" y2="-1712.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom5" elementType="O" x2="1486.0" y2="-415.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom6" elementType="C" x2="830.0" y2="-1712.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom7" elementType="C" x2="1497.0" y2="-1225.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom8" elementType="C" x2="2917.0" y2="-1228.0"/> <atom id="2R-HYDROPEROXY-FATTY-ACIDS-atom9" elementType="R" x2="3642.0" y2="-1729.0"/> </atomArray> <bondArray> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond1" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom6 2R-HYDROPEROXY-FATTY-ACIDS-atom7" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond2" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom7 2R-HYDROPEROXY-FATTY-ACIDS-atom5" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond3" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom4 2R-HYDROPEROXY-FATTY-ACIDS-atom7" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond4" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom3 2R-HYDROPEROXY-FATTY-ACIDS-atom6" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond5" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom2 2R-HYDROPEROXY-FATTY-ACIDS-atom5" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond6" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom1 2R-HYDROPEROXY-FATTY-ACIDS-atom6" order="2"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond7" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom4 2R-HYDROPEROXY-FATTY-ACIDS-atom8" order="1"/> <bond id="2R-HYDROPEROXY-FATTY-ACIDS-bond8" atomRefs="2R-HYDROPEROXY-FATTY-ACIDS-atom8 2R-HYDROPEROXY-FATTY-ACIDS-atom9" order="1"/> </b…

biopax-level3ChemicalStructure126387
structure data: <atom id="MET-atom1" elementType="C" x2="1546.0" y2="1146.0"/> <atom id="MET-atom2" elementType="C" x2="1613.0" y2="1102.0"/> <atom id="MET-atom3" elementType="C" x2="1473.0" y2="1106.0"/> <atom id="MET-atom4" elementType="N" x2="1543.0" y2="1229.0" formalCharge="1"/> <atom id="MET-atom5" elementType="O" x2="1686.0" y2="1142.0" formalCharge="-1"/> <atom id="MET-atom6" elementType="O" x2="1612.0" y2="1019.0"/> <atom id="MET-atom7" elementType="C" x2="1401.0" y2="1148.0"/> <atom id="MET-atom8" elementType="S" x2="1328.0" y2="1108.0"/> <atom id="MET-atom9" elementType="C" x2="1258.0" y2="1150.0"/> <bond id="MET-bond1" atomRefs="MET-atom1 MET-atom2" order="1"/> <bond id="MET-bond2" atomRefs="MET-atom1 MET-atom3" order="1"/> <bond id="MET-bond3" atomRefs="MET-atom1 MET-atom4" order="1"/> <bond id="MET-bond4" atomRefs="MET-atom2 MET-atom5" order="1"/> <bond id="MET-bond5" atomRefs="MET-atom2 MET-atom6" order="2"/> <bond id="MET-bond6" atomRefs="MET-atom3 MET-atom7" order="1"/> <bond id="MET-bond7" atomRefs="MET-atom7 MET-atom8" order="1"/> <bond id="MET-bond8" atomRefs="MET-atom8 MET-atom9" order="1"/> <formula concise="H 11 S 1 O 2 N 1 C 5"/> 149.207 C(=O)([O-])C([N+])CCSC

biopax-level3ChemicalStructure160387
structure data: <atom id="CPD-11400-atom1" elementType="C" x2="-18562.0" y2="13848.0"/> <atom id="CPD-11400-atom2" elementType="C" x2="-25707.0" y2="17973.0"/> <atom id="CPD-11400-atom3" elementType="C" x2="-25707.0" y2="26223.0"/> <atom id="CPD-11400-atom4" elementType="C" x2="-18562.0" y2="30348.0"/> <atom id="CPD-11400-atom5" elementType="C" x2="-11418.0" y2="26223.0"/> <atom id="CPD-11400-atom6" elementType="C" x2="-11418.0" y2="17973.0"/> <atom id="CPD-11400-atom7" elementType="O" x2="-18562.0" y2="5598.0"/> <atom id="CPD-11400-atom8" elementType="C" x2="-11418.0" y2="1473.0"/> <atom id="CPD-11400-atom9" elementType="C" x2="-4273.0" y2="-10902.0"/> <atom id="CPD-11400-atom10" elementType="C" x2="-11418.0" y2="-6777.0"/> <atom id="CPD-11400-atom11" elementType="C" x2="-4273.0" y2="5598.0"/> <atom id="CPD-11400-atom12" elementType="C" x2="2872.0" y2="1473.0"/> <atom id="CPD-11400-atom13" elementType="C" x2="2872.0" y2="-6777.0"/> <atom id="CPD-11400-atom14" elementType="O" x2="-18562.0" y2="38598.0"/> <atom id="CPD-11400-atom15" elementType="C" x2="-24836.0" y2="43957.0"/> <atom id="CPD-11400-atom16" elementType="O" x2="-31980.0" y2="39832.0"/> <atom id="CPD-11400-atom17" elementType="C" x2="-39125.0" y2="43957.0"/> <atom id="CPD-11400-atom18" elementType="C" x2="-39125.0" y2="52207.0"/> <atom id="CPD-11400-atom19" elementType="C" x2="-31980.0" y2="56332.0"/> <atom id="CPD-11400-atom20" elementType="C" x2="-24836.0" y2="52207.0"/> <atom id="CPD-11400-atom21" elementType="C" x2="-46270.0" y2="39832.0"/> <atom id="CPD-11400-atom22" elementType="O" x2="-53414.0" y2="43957.0" formalCharge="-1"/> <atom id="CPD-11400-atom23" elementType="O" x2="-46270.0" y2="31582.0"/> <atom id="CPD-11400-atom24" elementType="O" x2="-46270.0" y2="56332.0"/> <atom id="CPD-11400-atom25" elementType="O" x2="-31980.0" y2="64582.0"/> <atom id="CPD-11400-atom26" elementType="O" x2="-17691.0" y2="56332.0"/> <atom id="CPD-11400-atom27" elementType="I" x2="-32852.0" y2="30348.0"/> <atom id="CPD-11400-atom28" e…

CHEBI CHEBI:17378
structure data: InChI%3D1S%2FC3H6O3%2Fc4-1-3%286%292-5%2Fh1%2C3%2C5-6H%2C2H2%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:36062
structure data: InChI%3D1S%2FC7H6O4%2Fc8-5-2-1-4%287%2810%2911%293-6%285%299%2Fh1-3%2C8-9H%2C%28H%2C10%2C11%29

CHEBI CHEBI:5672
structure data: InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3

CHEBI CHEBI:15367
structure data: InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29%2Fb9-6%2B%2C12-11%2B%2C15-8%2B%2C16-14%2B

CHEBI CHEBI:62898
structure data: InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3

biopax-level3ChemicalStructure174485
structure data: <atom id="CPD-11961-atom1" elementType="C" x2="-21804.0" y2="1768.0"/> <atom id="CPD-11961-atom2" elementType="C" x2="-28948.0" y2="5893.0"/> <atom id="CPD-11961-atom3" elementType="C" x2="-28948.0" y2="14143.0"/> <atom id="CPD-11961-atom4" elementType="C" x2="-21804.0" y2="18268.0"/> <atom id="CPD-11961-atom5" elementType="C" x2="-14659.0" y2="14143.0"/> <atom id="CPD-11961-atom6" elementType="C" x2="-14659.0" y2="5893.0"/> <atom id="CPD-11961-atom7" elementType="C" x2="-7514.0" y2="1768.0"/> <atom id="CPD-11961-atom8" elementType="O" x2="-7514.0" y2="18268.0"/> <atom id="CPD-11961-atom9" elementType="C" x2="-370.0" y2="14143.0"/> <atom id="CPD-11961-atom10" elementType="C" x2="-370.0" y2="5893.0"/> <atom id="CPD-11961-atom11" elementType="C" x2="-21804.0" y2="-6482.0"/> <atom id="CPD-11961-atom12" elementType="O" x2="-36093.0" y2="1768.0"/> <atom id="CPD-11961-atom13" elementType="C" x2="-36093.0" y2="18268.0"/> <atom id="CPD-11961-atom14" elementType="C" x2="-21804.0" y2="26518.0"/> <atom id="CPD-11961-atom15" elementType="C" x2="6775.0" y2="10018.0"/> <atom id="CPD-11961-atom16" elementType="C" x2="13920.0" y2="14143.0"/> <atom id="CPD-11961-atom17" elementType="C" x2="21065.0" y2="10018.0"/> <atom id="CPD-11961-atom18" elementType="C" x2="28209.0" y2="14143.0"/> <atom id="CPD-11961-atom19" elementType="C" x2="35354.0" y2="10018.0"/> <atom id="CPD-11961-atom20" elementType="C" x2="3755.0" y2="21288.0"/> <atom id="CPD-11961-atom21" elementType="C" x2="28209.0" y2="22393.0"/> <atom id="CPD-11961-atom22" elementType="O" x2="42499.0" y2="14143.0"/> <atom id="CPD-11961-atom23" elementType="O" x2="35354.0" y2="1768.0"/> <bond id="CPD-11961-bond1" atomRefs="CPD-11961-atom1 CPD-11961-atom2" order="2"/> <bond id="CPD-11961-bond2" atomRefs="CPD-11961-atom2 CPD-11961-atom3" order="1"/> <bond id="CPD-11961-bond3" atomRefs="CPD-11961-atom3 CPD-11961-atom4" order="2"/> <bond id="CPD-11961-bond4" atomRefs="CPD-11961-atom4 CPD-11961-atom5" order="1"/> <bond id="CPD-11961-bond5"…

CHEBI CHEBI:15621
structure data: InChI%3D1S%2FC8H8O2%2Fc9-6-5-7-1-3-8%2810%294-2-7%2Fh1-4%2C6%2C10H%2C5H2

CHEBI CHEBI:19751
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1%2Fb3-2%2B

CHEBI CHEBI:30807
structure data: InChI%3D1S%2FC14H28O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2815%2916%2Fh2-13H2%2C1H3%2C%28H%2C15%2C16%29%2Fp-1

CHEBI CHEBI:25350
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%2810%2C2-3-7%294-5%288%299%2Fh7%2C10H%2C2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:29034
structure data: InChI%3D1S%2FFe%2Fq%2B3

biopax-level3ChemicalStructure131595
structure data: <atom id="PROPIONYL-COA-atom1" elementType="C" x2="41392.0" y2="-10619.0"/> <atom id="PROPIONYL-COA-atom2" elementType="O" x2="10154.0" y2="-10001.0" formalCharge="-1"/> <atom id="PROPIONYL-COA-atom3" elementType="C" x2="38315.0" y2="-16465.0"/> <atom id="PROPIONYL-COA-atom4" elementType="N" x2="28468.0" y2="2463.0"/> <atom id="PROPIONYL-COA-atom5" elementType="O" x2="-33236.0" y2="-18621.0"/> <atom id="PROPIONYL-COA-atom6" elementType="O" x2="37237.0" y2="-38162.0" formalCharge="-1"/> <atom id="PROPIONYL-COA-atom7" elementType="C" x2="-40160.0" y2="-2770.0"/> <atom id="PROPIONYL-COA-atom8" elementType="O" x2="-5079.0" y2="-10001.0" formalCharge="-1"/> <atom id="PROPIONYL-COA-atom9" elementType="C" x2="46318.0" y2="10154.0"/> <atom id="PROPIONYL-COA-atom10" elementType="N" x2="21237.0" y2="13848.0"/> <atom id="PROPIONYL-COA-atom11" elementType="C" x2="-28004.0" y2="-11079.0"/> <atom id="PROPIONYL-COA-atom12" elementType="O" x2="33543.0" y2="-6311.0"/> <atom id="PROPIONYL-COA-atom13" elementType="O" x2="4308.0" y2="-39700.0"/> <atom id="PROPIONYL-COA-atom14" elementType="C" x2="-46471.0" y2="-27390.0"/> <atom id="PROPIONYL-COA-atom15" elementType="O" x2="-5079.0" y2="6617.0"/> <atom id="PROPIONYL-COA-atom16" elementType="O" x2="-14620.0" y2="-1692.0"/> <atom id="PROPIONYL-COA-atom17" elementType="N" x2="-46471.0" y2="-6464.0"/> <atom id="PROPIONYL-COA-atom18" elementType="C" x2="-22004.0" y2="-6464.0"/> <atom id="PROPIONYL-COA-atom19" elementType="C" x2="4308.0" y2="-31391.0"/> <atom id="PROPIONYL-COA-atom20" elementType="C" x2="-33236.0" y2="-26930.0"/> <atom id="PROPIONYL-COA-atom21" elementType="C" x2="27697.0" y2="17696.0"/> <atom id="PROPIONYL-COA-atom22" elementType="N" x2="-24467.0" y2="-31085.0"/> <atom id="PROPIONYL-COA-atom23" elementType="C" x2="-28004.0" y2="-2770.0"/> <atom id="PROPIONYL-COA-atom24" elementType="N" x2="41392.0" y2="2923.0"/> <atom id="PROPIONYL-COA-atom25" elementType="C" x2="17543.0" y2="-31238.0"/> <atom id="PROPIONYL-COA-atom26" eleme…

biopax-level3ChemicalStructure135442
structure data: <atom id="CPD-653-atom1" elementType="O" x2="-10559.0" y2="72135.0"/> <atom id="CPD-653-atom2" elementType="O" x2="-2107.0" y2="52604.0"/> <atom id="CPD-653-atom3" elementType="C" x2="-8707.0" y2="57754.0"/> <atom id="CPD-653-atom4" elementType="C" x2="-5943.0" y2="65685.0"/> <atom id="CPD-653-atom5" elementType="C" x2="2562.0" y2="65518.0"/> <atom id="CPD-653-atom6" elementType="C" x2="4697.0" y2="57143.0"/> <atom id="CPD-653-atom7" elementType="C" x2="12376.0" y2="54447.0"/> <atom id="CPD-653-atom8" elementType="C" x2="-7579.0" y2="32584.0"/> <atom id="CPD-653-atom9" elementType="C" x2="-7626.0" y2="40863.0"/> <atom id="CPD-653-atom10" elementType="N" x2="-13918.0" y2="45478.0"/> <atom id="CPD-653-atom11" elementType="C" x2="-21992.0" y2="41225.0"/> <atom id="CPD-653-atom12" elementType="C" x2="-21853.0" y2="33446.0"/> <atom id="CPD-653-atom13" elementType="C" x2="-14919.0" y2="28917.0"/> <atom id="CPD-653-atom14" elementType="C" x2="-735.0" y2="28061.0"/> <atom id="CPD-653-atom15" elementType="N" x2="-756.0" y2="20786.0"/> <atom id="CPD-653-atom16" elementType="O" x2="6592.0" y2="31751.0"/> <atom id="CPD-653-atom17" elementType="O" x2="7418.0" y2="71536.0"/> <atom id="CPD-653-atom18" elementType="P" x2="29761.0" y2="54510.0"/> <atom id="CPD-653-atom19" elementType="O" x2="29761.0" y2="45303.0"/> <atom id="CPD-653-atom20" elementType="O" x2="29806.0" y2="63669.0" formalCharge="-1"/> <atom id="CPD-653-atom21" elementType="O" x2="40014.0" y2="54517.0"/> <atom id="CPD-653-atom22" elementType="P" x2="51090.0" y2="54510.0"/> <atom id="CPD-653-atom23" elementType="O" x2="51120.0" y2="45314.0"/> <atom id="CPD-653-atom24" elementType="O" x2="51098.0" y2="64071.0" formalCharge="-1"/> <atom id="CPD-653-atom25" elementType="O" x2="90098.0" y2="71718.0"/> <atom id="CPD-653-atom26" elementType="O" x2="72203.0" y2="71749.0"/> <atom id="CPD-653-atom27" elementType="O" x2="80940.0" y2="52508.0"/> <atom id="CPD-653-atom28" elementType="O" x2="59964.0" y2="54531.0"/> <atom id="CPD-…

CHEBI CHEBI:17282
structure data: InChI%3D1S%2FC11H11NO3%2Fc13-10%2811%2814%2915%295-7-6-12-9-4-2-1-3-8%287%299%2Fh1-4%2C6%2C10%2C12-13H%2C5H2%2C%28H%2C14%2C15%29%2Fp-1

CHEBI CHEBI:18243
structure data: InChI%3D1S%2FC8H11NO2%2Fc9-4-3-6-1-2-7%2810%298%2811%295-6%2Fh1-2%2C5%2C10-11H%2C3-4%2C9H2

CHEBI CHEBI:17927
structure data: InChI%3D1S%2FC9H21N3O%2Fc1-9%2813%2912-8-4-7-11-6-3-2-5-10%2Fh11H%2C2-8%2C10H2%2C1H3%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure150616
structure data: <atom id="CPD-11674-atom1" elementType="C" x2="-6777.0" y2="-2063.0"/> <atom id="CPD-11674-atom2" elementType="C" x2="-13921.0" y2="2062.0"/> <atom id="CPD-11674-atom3" elementType="C" x2="-13921.0" y2="10313.0"/> <atom id="CPD-11674-atom4" elementType="C" x2="-6777.0" y2="14438.0"/> <atom id="CPD-11674-atom5" elementType="C" x2="8214.0" y2="-487.0"/> <atom id="CPD-11674-atom6" elementType="C" x2="368.0" y2="2062.0"/> <atom id="CPD-11674-atom7" elementType="C" x2="368.0" y2="10313.0"/> <atom id="CPD-11674-atom8" elementType="N" x2="8214.0" y2="12861.0"/> <atom id="CPD-11674-atom9" elementType="C" x2="13063.0" y2="6187.0"/> <atom id="CPD-11674-atom10" elementType="O" x2="-21066.0" y2="-2063.0"/> <atom id="CPD-11674-atom11" elementType="C" x2="10763.0" y2="-8333.0"/> <atom id="CPD-11674-atom12" elementType="C" x2="18833.0" y2="-10049.0"/> <atom id="CPD-11674-atom13" elementType="O" x2="21383.0" y2="-17895.0"/> <atom id="CPD-11674-atom14" elementType="S" x2="-28211.0" y2="2062.0"/> <atom id="CPD-11674-atom15" elementType="O" x2="-35292.0" y2="6296.0" formalCharge="-1"/> <atom id="CPD-11674-atom16" elementType="O" x2="-24286.0" y2="9319.0"/> <atom id="CPD-11674-atom17" elementType="O" x2="-32146.0" y2="-5189.0"/> <bond id="CPD-11674-bond1" atomRefs="CPD-11674-atom1 CPD-11674-atom2" order="2"/> <bond id="CPD-11674-bond2" atomRefs="CPD-11674-atom2 CPD-11674-atom3" order="1"/> <bond id="CPD-11674-bond3" atomRefs="CPD-11674-atom3 CPD-11674-atom4" order="2"/> <bond id="CPD-11674-bond4" atomRefs="CPD-11674-atom4 CPD-11674-atom7" order="1"/> <bond id="CPD-11674-bond5" atomRefs="CPD-11674-atom1 CPD-11674-atom6" order="1"/> <bond id="CPD-11674-bond6" atomRefs="CPD-11674-atom5 CPD-11674-atom6" order="1"/> <bond id="CPD-11674-bond7" atomRefs="CPD-11674-atom7 CPD-11674-atom8" order="1"/> <bond id="CPD-11674-bond8" atomRefs="CPD-11674-atom8 CPD-11674-atom9" order="1"/> <bond id="CPD-11674-bond9" atomRefs="CPD-11674-atom5 CPD-11674-atom9" order="2"/> <bond id="CPD-11674-bond10" atomR…

CHEBI CHEBI:59171
structure data: InChI%3D1S%2FC21H29NO.ClH%2Fc23-21%2819-7-3-1-4-8-19%2C11-14-22-12-5-2-6-13-22%2920-16-17-9-10-18%2820%2915-17%3B%2Fh1%2C3-4%2C7-10%2C17-18%2C20%2C23H%2C2%2C5-6%2C11-16H2%3B1H

CHEBI CHEBI:7386
structure data: InChI%3D1S%2FC6H11NO2%2Fc1-6%289%297-4-2-3-5-8%2Fh5H%2C2-4H2%2C1H3%2C%28H%2C7%2C9%29

CHEBI CHEBI:7856
structure data: InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3

biopax-level3ChemicalStructure172107
structure data: <atom id="CPD-9977-atom1" elementType="C" x2="-2218.0" y2="-2074.0"/> <atom id="CPD-9977-atom2" elementType="C" x2="-2933.0" y2="-1662.0"/> <atom id="CPD-9977-atom3" elementType="C" x2="-2933.0" y2="-838.0"/> <atom id="CPD-9977-atom4" elementType="C" x2="-2218.0" y2="-425.0"/> <atom id="CPD-9977-atom5" elementType="C" x2="-1504.0" y2="-1662.0"/> <atom id="CPD-9977-atom6" elementType="C" x2="-2218.0" y2="-2900.0"/> <atom id="CPD-9977-atom7" elementType="C" x2="-790.0" y2="-2074.0"/> <atom id="CPD-9977-atom8" elementType="C" x2="-2218.0" y2="400.0"/> <atom id="CPD-9977-atom9" elementType="C" x2="-2933.0" y2="812.0"/> <atom id="CPD-9977-atom10" elementType="O" x2="-790.0" y2="-2900.0"/> <atom id="CPD-9977-atom11" elementType="C" x2="-1504.0" y2="812.0"/> <atom id="CPD-9977-atom12" elementType="O" x2="-1504.0" y2="1638.0"/> <bond id="CPD-9977-bond1" atomRefs="CPD-9977-atom11 CPD-9977-atom12" order="2"/> <bond id="CPD-9977-bond2" atomRefs="CPD-9977-atom8 CPD-9977-atom9" order="1"/> <bond id="CPD-9977-bond3" atomRefs="CPD-9977-atom8 CPD-9977-atom11" order="1"/> <bond id="CPD-9977-bond4" atomRefs="CPD-9977-atom4 CPD-9977-atom8" order="2"/> <bond id="CPD-9977-bond5" atomRefs="CPD-9977-atom7 CPD-9977-atom10" order="1"/> <bond id="CPD-9977-bond6" atomRefs="CPD-9977-atom5 CPD-9977-atom7" order="1"/> <bond id="CPD-9977-bond7" atomRefs="CPD-9977-atom1 CPD-9977-atom6" order="1"/> <bond id="CPD-9977-bond8" atomRefs="CPD-9977-atom3 CPD-9977-atom4" order="1"/> <bond id="CPD-9977-bond9" atomRefs="CPD-9977-atom2 CPD-9977-atom3" order="1"/> <bond id="CPD-9977-bond10" atomRefs="CPD-9977-atom1 CPD-9977-atom5" order="2"/> <bond id="CPD-9977-bond11" atomRefs="CPD-9977-atom1 CPD-9977-atom2" order="1"/> <formula concise="H 16 O 2 C 10"/> 168.235 CC(CCC=C(C=O)C)=CCO

biopax-level3ChemicalStructure150790
structure data: <atom id="ESTRONE-atom1" elementType="C" x2="70140.0" y2="1430.0"/> <atom id="ESTRONE-atom2" elementType="C" x2="-1430.0" y2="42470.0"/> <atom id="ESTRONE-atom3" elementType="C" x2="-1430.0" y2="287710.0"/> <atom id="ESTRONE-atom4" elementType="C" x2="142660.0" y2="42470.0"/> <atom id="ESTRONE-atom5" elementType="C" x2="-73000.0" y2="246680.0"/> <atom id="ESTRONE-atom6" elementType="C" x2="-1430.0" y2="124530.0"/> <atom id="ESTRONE-atom7" elementType="C" x2="142660.0" y2="124530.0"/> <atom id="ESTRONE-atom8" elementType="C" x2="235230.0" y2="147430.0"/> <atom id="ESTRONE-atom9" elementType="C" x2="-144570.0" y2="287710.0"/> <atom id="ESTRONE-atom10" elementType="C" x2="-217100.0" y2="246680.0"/> <atom id="ESTRONE-atom11" elementType="C" x2="231410.0" y2="15750.0"/> <atom id="ESTRONE-atom12" elementType="C" x2="142660.0" y2="-40560.0"/> <atom id="ESTRONE-atom13" elementType="C" x2="70140.0" y2="155070.0"/> <atom id="ESTRONE-atom14" elementType="C" x2="-144570.0" y2="124530.0"/> <atom id="ESTRONE-atom15" elementType="C" x2="70140.0" y2="246680.0"/> <atom id="ESTRONE-atom16" elementType="C" x2="-73000.0" y2="165560.0"/> <atom id="ESTRONE-atom17" elementType="O" x2="271490.0" y2="-57730.0"/> <atom id="ESTRONE-atom18" elementType="C" x2="-217100.0" y2="165560.0"/> <atom id="ESTRONE-atom19" elementType="C" x2="287710.0" y2="82540.0"/> <atom id="ESTRONE-atom20" elementType="O" x2="-288660.0" y2="288660.0"/> <bond id="ESTRONE-bond1" atomRefs="ESTRONE-atom20 ESTRONE-atom10" order="1"/> <bond id="ESTRONE-bond2" atomRefs="ESTRONE-atom19 ESTRONE-atom11" order="1"/> <bond id="ESTRONE-bond3" atomRefs="ESTRONE-atom14 ESTRONE-atom18" order="1"/> <bond id="ESTRONE-bond4" atomRefs="ESTRONE-atom17 ESTRONE-atom11" order="2"/> <bond id="ESTRONE-bond5" atomRefs="ESTRONE-atom16 ESTRONE-atom6" order="1"/> <bond id="ESTRONE-bond6" atomRefs="ESTRONE-atom15 ESTRONE-atom13" order="1"/> <bond id="ESTRONE-bond7" atomRefs="ESTRONE-atom16 ESTRONE-atom14" order="2"/> <bond id="ESTRONE-bond8" atomRe…

CHEBI CHEBI:39420
structure data: InChI%3D1S%2FC25H50O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25%2826%2927%2Fh2-24H2%2C1H3%2C%28H%2C26%2C27%29

CHEBI CHEBI:61389
structure data: InChI%3D1S%2FC18H32O2%2Fc19-18%2820%2916-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17%2Fh11%2C14%2C17H%2C1-10%2C12-13%2C15-16H2%2C%28H%2C19%2C20%29%2Ft17-%2Fm0%2Fs1

biopax-level3ChemicalStructure169448
structure data: <atom id="CPD-8611-atom1" elementType="C" x2="7820.0" y2="-3260.0"/> <atom id="CPD-8611-atom2" elementType="C" x2="8882.0" y2="-4216.0"/> <atom id="CPD-8611-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-8611-atom4" elementType="C" x2="2144.0" y2="-3444.0"/> <atom id="CPD-8611-atom5" elementType="C" x2="846.0" y2="-799.0"/> <atom id="CPD-8611-atom6" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-8611-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-8611-atom8" elementType="O" x2="0.0" y2="-1382.0"/> <atom id="CPD-8611-atom9" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-8611-atom10" elementType="C" x2="6716.0" y2="-4486.0"/> <atom id="CPD-8611-atom11" elementType="C" x2="2012.0" y2="-799.0"/> <atom id="CPD-8611-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-8611-atom13" elementType="C" x2="2889.0" y2="-3888.0"/> <atom id="CPD-8611-atom14" elementType="C" x2="6164.0" y2="-5099.0"/> <atom id="CPD-8611-atom15" elementType="C" x2="2858.0" y2="-1382.0"/> <atom id="CPD-8611-atom16" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-8611-atom17" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-8611-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-8611-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-8611-atom20" elementType="C" x2="1429.0" y2="-3032.0"/> <atom id="CPD-8611-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-8611-atom22" elementType="C" x2="3603.0" y2="-2651.0"/> <atom id="CPD-8611-atom23" elementType="C" x2="2889.0" y2="-3063.0"/> <atom id="CPD-8611-atom24" elementType="C" x2="5358.0" y2="-4928.0"/> <atom id="CPD-8611-atom25" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-8611-atom26" elementType="C" x2="4318.0" y2="-3063.0"/> <atom id="CPD-8611-atom27" elementType="C" x2="5102.0" y2="-4143.0"/> <atom id="CPD-8611-atom28" elementType="C" x2="2144.0" y2="-1795.0"/> <atom id="CPD-8611-atom29" elementType="C" x2="2144.0" y2="-2…

CHEBI CHEBI:6909
structure data: InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3

biopax-level3ChemicalStructure160746
structure data: <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom1" elementType="C" x2="783950.0" y2="-1528740.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom2" elementType="C" x2="712500.0" y2="-1487490.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom3" elementType="C" x2="641050.0" y2="-1528740.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom4" elementType="C" x2="569610.0" y2="-1487490.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom5" elementType="O" x2="783950.0" y2="-1611240.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom6" elementType="O" x2="855390.0" y2="-1487490.0" formalCharge="-1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom7" elementType="O" x2="569610.0" y2="-1404990.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom8" elementType="N" x2="712500.0" y2="-1404990.0" formalCharge="1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom9" elementType="C" x2="586410.0" y2="-1268020.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom10" elementType="O" x2="446180.0" y2="-1224710.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom11" elementType="O" x2="214020.0" y2="-1592440.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom12" elementType="O" x2="366740.0" y2="-1272420.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom13" elementType="C" x2="214240.0" y2="-1509830.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom14" elementType="N" x2="508500.0" y2="-1363650.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom15" elementType="O" x2="366110.0" y2="-1518480.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom16" elementType="C" x2="508710.0" y2="-1281050.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom17" elementType="C" x2="366530.0" y2="-1355030.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom18" elementType="C" x2="286920.0" y2="-1473660.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom19" elementType="C" x2="428990.0" y2="-1482290.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12-atom20" el…

CHEBI CHEBI:43978
structure data: InChI%3D1S%2FC5H8F3NO2S%2Fc6-5%287%2C8%2912-2-1-3%289%294%2810%2911%2Fh3H%2C1-2%2C9H2%2C%28H%2C10%2C11%29%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:17437
structure data: InChI%3D1S%2FC2H6S%2Fc1-3-2%2Fh1-2H3

biopax-level3ChemicalStructure145405
structure data: <cml> <molecule id="Protein-tyrosine-phosphates" title="a protein-L-tyrosine phosphate" formalCharge="-2" dictRef="dictProtein-tyrosine-phosphates"> <atomArray> <atom id="Protein-tyrosine-phosphates-atom1" elementType="C" x2="-3047.0" y2="-20433.0"/> <atom id="Protein-tyrosine-phosphates-atom2" elementType="O" x2="19164.0" y2="-2538.0"/> <atom id="Protein-tyrosine-phosphates-atom3" elementType="C" x2="-17261.0" y2="-12311.0"/> <atom id="Protein-tyrosine-phosphates-atom4" elementType="C" x2="11169.0" y2="-12183.0"/> <atom id="Protein-tyrosine-phosphates-atom5" elementType="C" x2="4061.0" y2="-7995.0"/> <atom id="Protein-tyrosine-phosphates-atom6" elementType="C" x2="-3047.0" y2="-12183.0"/> <atom id="Protein-tyrosine-phosphates-atom7" elementType="C" x2="-17261.0" y2="-20306.0"/> <atom id="Protein-tyrosine-phosphates-atom8" elementType="C" x2="-10153.0" y2="-8122.0"/> <atom id="Protein-tyrosine-phosphates-atom9" elementType="C" x2="-10153.0" y2="-24494.0"/> <atom id="Protein-tyrosine-phosphates-atom10" elementType="C" x2="19164.0" y2="-7360.0"/> <atom id="Protein-tyrosine-phosphates-atom11" elementType="N" x2="11169.0" y2="-17641.0"/> <atom id="Protein-tyrosine-phosphates-atom12" elementType="Protein" x2="12878.0" y2="-30619.0"/> <atom id="Protein-tyrosine-phosphates-atom13" elementType="C" x2="17003.0" y2="-23475.0"/> <atom id="Protein-tyrosine-phosphates-atom14" elementType="O" x2="25253.0" y2="-23475.0"/> <atom id="Protein-tyrosine-phosphates-atom15" elementType="N" x2="25214.0" y2="-12969.0"/> <atom id="Protein-tyrosine-phosphates-atom16" elementType="Protein" x2="32359.0" y2="-8844.0"/> <atom id="Protein-tyrosine-phosphates-atom17" elementType="O" x2="-24561.0" y2="-24149.0"/> <atom id="Protein-tyrosine-phosphates-atom18" elementType="O" x2="-35831.0" y2="-27169.0"/> <atom id="Protein-tyrosine-phosphates-atom19" elementType="O" x2="-32811.0" y2="-38439.0" formalCharge="-1"/> <atom id="Protein-tyrosine-phosphates-atom20" elementType="O" x2="-21541.0" y2="-35419.0…

biopax-level3ChemicalStructure169310
structure data: <atom id="CPD-4576-atom1" elementType="C" x2="7820.0" y2="-3260.0"/> <atom id="CPD-4576-atom2" elementType="C" x2="8882.0" y2="-4216.0"/> <atom id="CPD-4576-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-4576-atom4" elementType="C" x2="846.0" y2="-799.0"/> <atom id="CPD-4576-atom5" elementType="C" x2="2144.0" y2="-3444.0"/> <atom id="CPD-4576-atom6" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-4576-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-4576-atom8" elementType="O" x2="0.0" y2="-1382.0"/> <atom id="CPD-4576-atom9" elementType="C" x2="2012.0" y2="-799.0"/> <atom id="CPD-4576-atom10" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-4576-atom11" elementType="C" x2="6716.0" y2="-4486.0"/> <atom id="CPD-4576-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-4576-atom13" elementType="C" x2="2889.0" y2="-3888.0"/> <atom id="CPD-4576-atom14" elementType="C" x2="6164.0" y2="-5099.0"/> <atom id="CPD-4576-atom15" elementType="C" x2="2858.0" y2="-1382.0"/> <atom id="CPD-4576-atom16" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-4576-atom17" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-4576-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-4576-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-4576-atom20" elementType="C" x2="1429.0" y2="-3032.0"/> <atom id="CPD-4576-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-4576-atom22" elementType="C" x2="3603.0" y2="-2651.0"/> <atom id="CPD-4576-atom23" elementType="C" x2="2889.0" y2="-3063.0"/> <atom id="CPD-4576-atom24" elementType="C" x2="5358.0" y2="-4928.0"/> <atom id="CPD-4576-atom25" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-4576-atom26" elementType="C" x2="4318.0" y2="-3063.0"/> <atom id="CPD-4576-atom27" elementType="C" x2="5102.0" y2="-4143.0"/> <atom id="CPD-4576-atom28" elementType="C" x2="2144.0" y2="-1795.0"/> <atom id="CPD-4576-atom29" elementType="C" x2="1429.0" y2="-1…

biopax-level3ChemicalStructure144111
structure data: <cml> <molecule id="Dermatan-sulfate-L-IdoA2S" title="[dermatan-sulfate]-2-O-sulfo-alpha-L-iduronate" formalCharge="-1"> <atomArray> <atom id="Dermatan-sulfate-L-IdoA2S-atom1" elementType="O" x2="1303.0" y2="1165.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom2" elementType="O" x2="1160.0" y2="1165.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom3" elementType="O" x2="1303.0" y2="1329.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom4" elementType="O" x2="1161.0" y2="1412.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom5" elementType="O" x2="1017.0" y2="1082.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom6" elementType="O" x2="946.0" y2="1205.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom7" elementType="C" x2="1233.0" y2="1206.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom8" elementType="C" x2="1233.0" y2="1288.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom9" elementType="C" x2="1089.0" y2="1205.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom10" elementType="C" x2="1161.0" y2="1329.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom11" elementType="C" x2="1089.0" y2="1287.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom12" elementType="C" x2="1017.0" y2="1165.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom13" elementType="O" x2="1016.0" y2="1327.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom14" elementType="R1" x2="945.0" y2="1368.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom15" elementType="R2" x2="1375.0" y2="1123.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom16" elementType="S" x2="1385.0" y2="1329.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom17" elementType="O" x2="1467.0" y2="1329.0" formalCharge="-1"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom18" elementType="O" x2="1385.0" y2="1247.0"/> <atom id="Dermatan-sulfate-L-IdoA2S-atom19" elementType="O" x2="1385.0" y2="1411.0"/> </atomArray> <bondArray> <bond id="Dermatan-sulfate-L-IdoA2S-bond1" atomRefs="Dermatan-sulfate-L-IdoA2S-atom7 Dermatan-sulfate-L-IdoA2S-atom1" order="1"/> <bond id="Dermatan-sulfate-L-IdoA2S-bond2" atomRefs="Dermatan-sulfate…

biopax-level3ChemicalStructure139954
structure data: <atom id="CPD-224-atom1" elementType="C" x2="287060.0" y2="90000.0"/> <atom id="CPD-224-atom2" elementType="C" x2="215620.0" y2="131250.0"/> <atom id="CPD-224-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-224-atom4" elementType="C" x2="215620.0" y2="213740.0"/> <atom id="CPD-224-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-224-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-224-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-224-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-224-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-224-atom10" elementType="C" x2="1280.0" y2="-239990.0"/> <atom id="CPD-224-atom11" elementType="C" x2="-70160.0" y2="-363740.0"/> <atom id="CPD-224-atom12" elementType="C" x2="-70160.0" y2="-281240.0"/> <atom id="CPD-224-atom13" elementType="C" x2="1280.0" y2="-404990.0"/> <atom id="CPD-224-atom14" elementType="C" x2="-141610.0" y2="-404990.0"/> <atom id="CPD-224-atom15" elementType="C" x2="-427390.0" y2="-734980.0"/> <atom id="CPD-224-atom16" elementType="C" x2="-355940.0" y2="-776230.0"/> <atom id="CPD-224-atom17" elementType="C" x2="-498840.0" y2="-776230.0"/> <atom id="CPD-224-atom18" elementType="C" x2="-427390.0" y2="-652480.0"/> <atom id="CPD-224-atom19" elementType="C" x2="-213050.0" y2="-528730.0"/> <atom id="CPD-224-atom20" elementType="C" x2="-141610.0" y2="-487490.0"/> <atom id="CPD-224-atom21" elementType="C" x2="-213050.0" y2="-611230.0"/> <atom id="CPD-224-atom22" elementType="C" x2="-141610.0" y2="-652480.0"/> <atom id="CPD-224-atom23" elementType="C" x2="-284490.0" y2="-652480.0"/> <atom id="CPD-224-atom24" elementType="C" x2="-355940.0" y2="-611230.0"/> <atom id="CPD-224-atom25" elementType="C" x2="-641720.0" y2="-776230.0"/> <atom id="CPD-224-atom26" elementType="C" x2="-570270.0" y2="-734980.0"/> <atom id="CPD-224-atom27" elementType="C" x2="-641720.0" y2="-858720.0"/> <atom id="CPD-224-atom28" elementType="C" …

CHEBI CHEBI:42504
structure data: InChI%3D1S%2FC15H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15%2816%2917%2Fh2-14H2%2C1H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:61185
structure data: InChI%3D1S%2FC6H11NO2%2Fc8-6%289%295-3-1-2-4-7-5%2Fh5%2C7H%2C1-4H2%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:18367
structure data: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

CHEBI CHEBI:57402
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C16-17%2C19%2C23H%2C2-3%2C5-6%2C8-14H2%2C1H3%2C%28H%2C24%2C25%29%2Fp-1%2Fb7-4-%2Ft16-%2C17-%2C19-%2Fm1%2Fs1

CHEBI CHEBI:64307
structure data: InChI%3D1S%2FC4H10N2O2%2Fc5-2-1-3%286%294%287%298%2Fh3H%2C1-2%2C5-6H2%2C%28H%2C7%2C8%29

CHEBI CHEBI:4882
structure data: InChI%3D1S%2FC7H9ClO%2Fc1-3-7%289%2C4-2%295-6-8%2Fh1%2C5-6%2C9H%2C4H2%2C2H3

CHEBI CHEBI:38247
structure data: InChI%3D1S%2FC16H32O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15%2817%2914-16%2818%2919%2Fh15%2C17H%2C2-14H2%2C1H3%2C%28H%2C18%2C19%29%2Ft15-%2Fm1%2Fs1

CHEBI CHEBI:45373
structure data: InChI%3D1S%2FC6H8N2O2S%2Fc7-5-1-3-6%284-2-5%2911%288%2C9%2910%2Fh1-4H%2C7H2%2C%28H2%2C8%2C9%2C10%29

biopax-level3ChemicalStructure144773
structure data: <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom1" elementType="C" x2="17058.0" y2="-892.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom2" elementType="C" x2="13403.0" y2="-553.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom3" elementType="C" x2="10054.0" y2="-457.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom4" elementType="N" x2="17104.0" y2="-3065.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom5" elementType="O" x2="15904.0" y2="0.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom6" elementType="O" x2="11980.0" y2="-1130.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom7" elementType="O" x2="8700.0" y2="-1083.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom8" elementType="O" x2="17395.0" y2="-1709.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom9" elementType="O" x2="14434.0" y2="-1827.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom10" elementType="O" x2="659.0" y2="-3122.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom11" elementType="O" x2="12278.0" y2="-5160.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom12" elementType="O" x2="5478.0" y2="-5250.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom13" elementType="O" x2="8860.0" y2="-5225.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom14" elementType="O" x2="2939.0" y2="-510.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom15" elementType="O" x2="1514.0" y2="-1272.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom16" elementType="O" x2="4295.0" y2="-1276.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom17" elementType="O" x2="6739.0" y2="-1695.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom18" elementType="O" x2="5089.0" y2="-1679.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom19" elementType="O" x2="11683.0" y2="-1747.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom20" elementType="O" x2="8393.0" y2="-1712.0"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom21" elementType="O" x2="0.0" y2="-4076.0" formalCharge="-1"/> <atom id="GLYCOPROTEIN-PHOSPHO-D-MANNOSE-atom22" elementType=…

CHEBI CHEBI:30831
structure data: InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

biopax-level3ChemicalStructure126040
structure data: <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom1" elementType="N" x2="602700.0" y2="-435240.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom2" elementType="O" x2="744910.0" y2="-682200.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom3" elementType="O" x2="531740.0" y2="-330770.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom4" elementType="O" x2="367420.0" y2="-330770.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom5" elementType="O" x2="729520.0" y2="-132640.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom6" elementType="O" x2="531490.0" y2="-166530.0" formalCharge="-1"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom7" elementType="O" x2="367420.0" y2="-166530.0" formalCharge="-1"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom8" elementType="C" x2="944330.0" y2="-517070.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom9" elementType="C" x2="675100.0" y2="-303160.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom10" elementType="N" x2="896200.0" y2="-584550.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom11" elementType="O" x2="613860.0" y2="-248470.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom12" elementType="O" x2="819070.0" y2="-325290.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom13" elementType="O" x2="449530.0" y2="-248650.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom14" elementType="C" x2="674020.0" y2="-475980.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom15" elementType="C" x2="745140.0" y2="-600080.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom16" elementType="C" x2="817170.0" y2="-559010.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom17" elementType="C" x2="817170.0" y2="-475980.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom18" elementType="C" x2="753100.0" y2="-277480.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom19" elementType="C" x2="778020.0" y2="-198910.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom20" elementType="C" x2="860590.0" y2="-198910.0"/> <atom id="GUANOSINE_DIPHOSPHATE_FUCOSE-atom21" elementType="C" x2="885980.0" y2="-277480.0"/>…

CHEBI CHEBI:28398
structure data: InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3

biopax-level3ChemicalStructure160402
structure data: <atom id="CPD-11398-atom1" elementType="C" x2="-18562.0" y2="13848.0"/> <atom id="CPD-11398-atom2" elementType="C" x2="-25707.0" y2="17973.0"/> <atom id="CPD-11398-atom3" elementType="C" x2="-25707.0" y2="26223.0"/> <atom id="CPD-11398-atom4" elementType="C" x2="-18562.0" y2="30348.0"/> <atom id="CPD-11398-atom5" elementType="C" x2="-11418.0" y2="26223.0"/> <atom id="CPD-11398-atom6" elementType="C" x2="-11418.0" y2="17973.0"/> <atom id="CPD-11398-atom7" elementType="O" x2="-18562.0" y2="5598.0"/> <atom id="CPD-11398-atom8" elementType="C" x2="-11418.0" y2="1473.0"/> <atom id="CPD-11398-atom9" elementType="C" x2="-4273.0" y2="-10902.0"/> <atom id="CPD-11398-atom10" elementType="C" x2="-11418.0" y2="-6777.0"/> <atom id="CPD-11398-atom11" elementType="C" x2="-4273.0" y2="5598.0"/> <atom id="CPD-11398-atom12" elementType="C" x2="2872.0" y2="1473.0"/> <atom id="CPD-11398-atom13" elementType="C" x2="2872.0" y2="-6777.0"/> <atom id="CPD-11398-atom14" elementType="O" x2="-18562.0" y2="38598.0"/> <atom id="CPD-11398-atom15" elementType="C" x2="-24836.0" y2="43957.0"/> <atom id="CPD-11398-atom16" elementType="O" x2="-31980.0" y2="39832.0"/> <atom id="CPD-11398-atom17" elementType="C" x2="-39125.0" y2="43957.0"/> <atom id="CPD-11398-atom18" elementType="C" x2="-39125.0" y2="52207.0"/> <atom id="CPD-11398-atom19" elementType="C" x2="-31980.0" y2="56332.0"/> <atom id="CPD-11398-atom20" elementType="C" x2="-24836.0" y2="52207.0"/> <atom id="CPD-11398-atom21" elementType="C" x2="-46270.0" y2="39832.0"/> <atom id="CPD-11398-atom22" elementType="O" x2="-53414.0" y2="43957.0" formalCharge="-1"/> <atom id="CPD-11398-atom23" elementType="O" x2="-46270.0" y2="31582.0"/> <atom id="CPD-11398-atom24" elementType="O" x2="-46270.0" y2="56332.0"/> <atom id="CPD-11398-atom25" elementType="O" x2="-31980.0" y2="64582.0"/> <atom id="CPD-11398-atom26" elementType="O" x2="-17691.0" y2="56332.0"/> <atom id="CPD-11398-atom27" elementType="I" x2="-32852.0" y2="30348.0"/> <atom id="CPD-11398-atom28" e…

CHEBI CHEBI:48107
structure data: InChI%3D1S%2FHNO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29

biopax-level3ChemicalStructure164164
structure data: <atom id="CPD-8579-atom1" elementType="N" x2="5345.0" y2="3073.0" formalCharge="1"/> <atom id="CPD-8579-atom2" elementType="C" x2="5313.0" y2="2217.0"/> <atom id="CPD-8579-atom3" elementType="C" x2="6091.0" y2="1942.0"/> <atom id="CPD-8579-atom4" elementType="O" x2="6091.0" y2="1127.0"/> <atom id="CPD-8579-atom5" elementType="C" x2="4636.0" y2="1750.0"/> <atom id="CPD-8579-atom6" elementType="C" x2="3853.0" y2="2034.0"/> <atom id="CPD-8579-atom7" elementType="C" x2="3327.0" y2="1396.0"/> <atom id="CPD-8579-atom8" elementType="C" x2="2564.0" y2="1671.0"/> <atom id="CPD-8579-atom9" elementType="N" x2="1887.0" y2="1149.0" formalCharge="1"/> <atom id="CPD-8579-atom10" elementType="O" x2="6765.0" y2="2420.0" formalCharge="-1"/> <atom id="CPD-8579-atom11" elementType="C" x2="663.0" y2="1612.0"/> <atom id="CPD-8579-atom12" elementType="Histones" x2="6060.0" y2="3486.0"/> <bond id="CPD-8579-bond1" atomRefs="CPD-8579-atom9 CPD-8579-atom11" order="1"/> <bond id="CPD-8579-bond2" atomRefs="CPD-8579-atom3 CPD-8579-atom10" order="1"/> <bond id="CPD-8579-bond3" atomRefs="CPD-8579-atom8 CPD-8579-atom9" order="1"/> <bond id="CPD-8579-bond4" atomRefs="CPD-8579-atom6 CPD-8579-atom7" order="1"/> <bond id="CPD-8579-bond5" atomRefs="CPD-8579-atom7 CPD-8579-atom8" order="1"/> <bond id="CPD-8579-bond6" atomRefs="CPD-8579-atom6 CPD-8579-atom5" order="1"/> <bond id="CPD-8579-bond7" atomRefs="CPD-8579-atom2 CPD-8579-atom5" order="1"/> <bond id="CPD-8579-bond8" atomRefs="CPD-8579-atom3 CPD-8579-atom4" order="2"/> <bond id="CPD-8579-bond9" atomRefs="CPD-8579-atom2 CPD-8579-atom3" order="1"/> <bond id="CPD-8579-bond10" atomRefs="CPD-8579-atom2 CPD-8579-atom1" order="1"/> <bond id="CPD-8579-bond11" atomRefs="CPD-8579-atom1 CPD-8579-atom12" order="1"/> <formula concise=""/> C(C([N+][a histone])CCCC[N+]C)(=O)[O-]

biopax-level3ChemicalStructure150082
structure data: <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom1" elementType="C" x2="4948.0" y2="-809.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom2" elementType="C" x2="2180.0" y2="0.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom3" elementType="O" x2="3822.0" y2="-9996.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom4" elementType="O" x2="800.0" y2="-9257.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom5" elementType="O" x2="827.0" y2="-11782.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom6" elementType="O" x2="1655.0" y2="-13458.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom7" elementType="O" x2="3794.0" y2="-8584.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom8" elementType="O" x2="822.0" y2="-7839.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom9" elementType="O" x2="4722.0" y2="-12875.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom10" elementType="O" x2="827.0" y2="-10132.0" formalCharge="-1"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom11" elementType="O" x2="0.0" y2="-10958.0" formalCharge="-1"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom12" elementType="C" x2="4529.0" y2="-1520.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom13" elementType="C" x2="1757.0" y2="-708.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom14" elementType="C" x2="4936.0" y2="-2237.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom15" elementType="C" x2="2158.0" y2="-1428.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom16" elementType="C" x2="4517.0" y2="-2948.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom17" elementType="C" x2="1734.0" y2="-2137.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom18" elementType="C" x2="4923.0" y2="-3666.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom19" elementType="C" x2="2136.0" y2="-2857.0"/> <atom id="3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom20" elementType="C" x2="4504…

CHEBI CHEBI:16697
structure data: InChI%3D1S%2FC9H10O%2Fc10-9-6-5-7-3-1-2-4-8%287%299%2Fh1-4%2C9-10H%2C5-6H2

biopax-level3ChemicalStructure174355
structure data: <atom id="tRNA-Containing-6Isopentenyladenosine-atom1" elementType="C" x2="1635.0" y2="1379.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom2" elementType="C" x2="1720.0" y2="1379.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom3" elementType="C" x2="1745.0" y2="1299.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom4" elementType="C" x2="1678.0" y2="1250.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom5" elementType="O" x2="1612.0" y2="1299.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom6" elementType="O" x2="1764.0" y2="1428.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom7" elementType="C" x2="1565.0" y2="1422.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom8" elementType="O" x2="1483.0" y2="1422.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom9" elementType="P" x2="1400.0" y2="1422.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom10" elementType="O" x2="1400.0" y2="1504.0" formalCharge="-1"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom11" elementType="O" x2="1400.0" y2="1337.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom12" elementType="O" x2="1802.0" y2="1242.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom13" elementType="P" x2="1847.0" y2="1428.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom14" elementType="O" x2="1929.0" y2="1428.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom15" elementType="O" x2="1847.0" y2="1345.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom16" elementType="O" x2="1847.0" y2="1512.0" formalCharge="-1"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom17" elementType="O" x2="1316.0" y2="1422.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom18" elementType="All-tRNAs" x2="1138.0" y2="1417.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom19" elementType="All-tRNAs" x2="2113.0" y2="1428.0"/> <atom id="tRNA-Containing-6Isopentenyladenosine-atom20" elementType="C" x2="1492.0" y2="1010.0"…

CHEBI CHEBI:17862
structure data: InChI%3D1S%2FC18H37NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18%2821%2917%2819%2916-20%2Fh17%2C20H%2C2-16%2C19H2%2C1H3%2Ft17-%2Fm0%2Fs1

CHEBI CHEBI:52388
structure data: InChI%3D1S%2FC28H46O2%2Fc1-18%282%297-6-8-19%283%2922-11-12-23-20-9-10-24-21%2817-29%2926%2830%2914-16-28%2824%2C5%2925%2820%2913-15-27%2822%2C23%294%2Fh7%2C19%2C21-24%2C26%2C29-30H%2C6%2C8-17H2%2C1-5H3%2Ft19-%2C21%3F%2C22-%2C23%2B%2C24%2B%2C26%2B%2C27-%2C28%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure167096
structure data: <atom id="CPD-4521-atom1" elementType="C" x2="2364.0" y2="4538.0"/> <atom id="CPD-4521-atom2" elementType="C" x2="7366.0" y2="-3300.0"/> <atom id="CPD-4521-atom3" elementType="C" x2="1650.0" y2="4125.0"/> <atom id="CPD-4521-atom4" elementType="C" x2="7366.0" y2="-4125.0"/> <atom id="CPD-4521-atom5" elementType="C" x2="3079.0" y2="4125.0"/> <atom id="CPD-4521-atom6" elementType="C" x2="6651.0" y2="-2888.0"/> <atom id="CPD-4521-atom7" elementType="C" x2="1650.0" y2="3300.0"/> <atom id="CPD-4521-atom8" elementType="C" x2="6651.0" y2="-4538.0"/> <atom id="CPD-4521-atom9" elementType="C" x2="5222.0" y2="412.0"/> <atom id="CPD-4521-atom10" elementType="C" x2="3793.0" y2="412.0"/> <atom id="CPD-4521-atom11" elementType="C" x2="5222.0" y2="-412.0"/> <atom id="CPD-4521-atom12" elementType="C" x2="3793.0" y2="-412.0"/> <atom id="CPD-4521-atom13" elementType="C" x2="3793.0" y2="2888.0"/> <atom id="CPD-4521-atom14" elementType="C" x2="5222.0" y2="-2888.0"/> <atom id="CPD-4521-atom15" elementType="C" x2="4508.0" y2="1650.0"/> <atom id="CPD-4521-atom16" elementType="C" x2="4508.0" y2="-1650.0"/> <atom id="CPD-4521-atom17" elementType="C" x2="3079.0" y2="3300.0"/> <atom id="CPD-4521-atom18" elementType="C" x2="5937.0" y2="-3300.0"/> <atom id="CPD-4521-atom19" elementType="C" x2="2364.0" y2="2888.0"/> <atom id="CPD-4521-atom20" elementType="C" x2="5937.0" y2="-4125.0"/> <atom id="CPD-4521-atom21" elementType="C" x2="4508.0" y2="825.0"/> <atom id="CPD-4521-atom22" elementType="C" x2="4508.0" y2="-825.0"/> <atom id="CPD-4521-atom23" elementType="N" x2="3793.0" y2="2062.0" formalCharge="1"/> <atom id="CPD-4521-atom24" elementType="N" x2="5222.0" y2="-2062.0" formalCharge="1"/> <atom id="CPD-4521-atom25" elementType="CL" x2="2364.0" y2="2062.0"/> <atom id="CPD-4521-atom26" elementType="CL" x2="5222.0" y2="-4538.0"/> <bond id="CPD-4521-bond1" atomRefs="CPD-4521-atom20 CPD-4521-atom26" order="1"/> <bond id="CPD-4521-bond2" atomRefs="CPD-4521-atom19 CPD-4521-atom25" order="1"/> <bond id="…

CHEBI CHEBI:32816
structure data: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

CHEBI CHEBI:65210
structure data: InChI%3D1S%2FC24H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24%2825%2926%2Fh3-4%2C6-7%2C9-10%2C12-13%2C15-16%2C18-19%2C22-23H%2C2%2C5%2C8%2C11%2C14%2C17%2C20-21H2%2C1H3%2C%28H%2C25%2C26%29%2Fb4-3-%2C7-6-%2C10-9-%2C13-12-%2C16-15-%2C19-18-%2C23-22%2B

biopax-level3ChemicalStructure173447
structure data: <atom id="CPD66-18-atom1" elementType="C" x2="1850.0" y2="-224590.0"/> <atom id="CPD66-18-atom2" elementType="C" x2="142900.0" y2="0.0"/> <atom id="CPD66-18-atom3" elementType="C" x2="156130.0" y2="-166070.0"/> <atom id="CPD66-18-atom4" elementType="C" x2="571620.0" y2="-165000.0"/> <atom id="CPD66-18-atom5" elementType="O" x2="214310.0" y2="-371220.0"/> <atom id="CPD66-18-atom6" elementType="C" x2="428720.0" y2="0.0"/> <atom id="CPD66-18-atom7" elementType="C" x2="500120.0" y2="-41200.0"/> <atom id="CPD66-18-atom8" elementType="C" x2="285810.0" y2="0.0"/> <atom id="CPD66-18-atom9" elementType="C" x2="65710.0" y2="-276800.0"/> <atom id="CPD66-18-atom10" elementType="C" x2="500120.0" y2="-288810.0"/> <atom id="CPD66-18-atom11" elementType="C" x2="428720.0" y2="-247510.0"/> <atom id="CPD66-18-atom12" elementType="C" x2="214310.0" y2="-123800.0"/> <atom id="CPD66-18-atom13" elementType="O" x2="428710.0" y2="-412530.0"/> <atom id="CPD66-18-atom14" elementType="C" x2="571560.0" y2="-412480.0"/> <atom id="CPD66-18-atom15" elementType="O" x2="285810.0" y2="-247510.0"/> <atom id="CPD66-18-atom16" elementType="C" x2="214310.0" y2="-288810.0"/> <atom id="CPD66-18-atom17" elementType="C" x2="357210.0" y2="-41200.0"/> <atom id="CPD66-18-atom18" elementType="C" x2="214310.0" y2="-41200.0"/> <atom id="CPD66-18-atom19" elementType="C" x2="142900.0" y2="-247510.0"/> <atom id="CPD66-18-atom20" elementType="C" x2="500120.0" y2="-123800.0"/> <atom id="CPD66-18-atom21" elementType="C" x2="500120.0" y2="-371220.0"/> <atom id="CPD66-18-atom22" elementType="C" x2="285810.0" y2="-165000.0"/> <atom id="CPD66-18-atom23" elementType="C" x2="428720.0" y2="-165000.0"/> <atom id="CPD66-18-atom24" elementType="C" x2="357210.0" y2="-123800.0"/> <atom id="CPD66-18-atom25" elementType="C" x2="128720.0" y2="-328780.0"/> <atom id="CPD66-18-atom26" elementType="C" x2="643010.0" y2="-371240.0"/> <atom id="CPD66-18-atom27" elementType="C" x2="714450.0" y2="-412510.0"/> <atom id="CPD66-18-atom28" elementT…

biopax-level3ChemicalStructure174048
structure data: <atom id="CPD1G-107-atom1" elementType="C" x2="1741170.0" y2="-173830.0"/> <atom id="CPD1G-107-atom2" elementType="C" x2="1812610.0" y2="-215080.0"/> <atom id="CPD1G-107-atom3" elementType="C" x2="1884050.0" y2="-173830.0"/> <atom id="CPD1G-107-atom4" elementType="C" x2="1955500.0" y2="-215080.0"/> <atom id="CPD1G-107-atom5" elementType="C" x2="2026950.0" y2="-173830.0"/> <atom id="CPD1G-107-atom6" elementType="C" x2="2098390.0" y2="-215080.0"/> <atom id="CPD1G-107-atom7" elementType="C" x2="2169840.0" y2="-173830.0"/> <atom id="CPD1G-107-atom8" elementType="C" x2="2241280.0" y2="-215080.0"/> <atom id="CPD1G-107-atom9" elementType="C" x2="2312720.0" y2="-173830.0"/> <atom id="CPD1G-107-atom10" elementType="C" x2="2384170.0" y2="-215080.0"/> <atom id="CPD1G-107-atom11" elementType="C" x2="2455620.0" y2="-173830.0"/> <atom id="CPD1G-107-atom12" elementType="C" x2="2527070.0" y2="-215080.0"/> <atom id="CPD1G-107-atom13" elementType="C" x2="2598500.0" y2="-173830.0"/> <atom id="CPD1G-107-atom14" elementType="C" x2="2669950.0" y2="-215080.0"/> <atom id="CPD1G-107-atom15" elementType="C" x2="2741400.0" y2="-173830.0"/> <atom id="CPD1G-107-atom16" elementType="C" x2="2812840.0" y2="-215080.0"/> <atom id="CPD1G-107-atom17" elementType="O" x2="2812840.0" y2="-297580.0"/> <atom id="CPD1G-107-atom18" elementType="O" x2="2884280.0" y2="-173830.0"/> <atom id="CPD1G-107-atom19" elementType="O" x2="2669950.0" y2="-297580.0"/> <atom id="CPD1G-107-atom20" elementType="C" x2="2741400.0" y2="-91340.0"/> <atom id="CPD1G-107-atom21" elementType="C" x2="2669950.0" y2="-50090.0"/> <atom id="CPD1G-107-atom22" elementType="C" x2="2598500.0" y2="-91340.0"/> <atom id="CPD1G-107-atom23" elementType="C" x2="2527070.0" y2="-50090.0"/> <atom id="CPD1G-107-atom24" elementType="C" x2="2455620.0" y2="-91340.0"/> <atom id="CPD1G-107-atom25" elementType="C" x2="2384170.0" y2="-50090.0"/> <atom id="CPD1G-107-atom26" elementType="C" x2="2312720.0" y2="-91340.0"/> <atom id="CPD1G-107-atom27" elementType=…

CHEBI CHEBI:16724
structure data: InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1

biopax-level3ChemicalStructure158987
structure data: <cml> <molecule id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET" title="alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide" formalCharge="0" dictRef="dictACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET"> <atomArray> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom1" elementType="C" x2="2083490.0" y2="-817730.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom2" elementType="C" x2="635700.0" y2="0.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom3" elementType="C" x2="1220960.0" y2="-893380.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom4" elementType="O" x2="893380.0" y2="-25220.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom5" elementType="O" x2="1097820.0" y2="-1100500.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom6" elementType="O" x2="2069540.0" y2="-1526260.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom7" elementType="O" x2="86790.0" y2="-246420.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom8" elementType="O" x2="798140.0" y2="-722490.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom9" elementType="O" x2="753340.0" y2="-1739010.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom10" elementType="O" x2="2820.0" y2="-1066960.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom11" elementType="O" x2="1240540.0" y2="-2005150.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom12" elementType="O" x2="501290.0" y2="-1332970.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom13" elementType="O" x2="44800.0" y2="-456480.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom14" elementType="O" x2="2069540.0" y2="-2089120.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom15" elementType="O" x2="798140.0" y2="-582440.0"/> <atom id="ACETYLNEURAMINYL-23-BETA-D-GALACTOSYL-ET-atom16" elementType="O" x2="417310.0" y2="-22400.0"/> <atom id="ACETYLNEURAMINYL-23-BE…

CHEBI CHEBI:8736
structure data: InChI%3D1S%2FC16H21NO2%2Fc1-12%282%2917-10-14%2818%2911-19-16-9-5-7-13-6-3-4-8-15%2813%2916%2Fh3-9%2C12%2C14%2C17-18H%2C10-11H2%2C1-2H3%2Ft14-%2Fm1%2Fs1

CHEBI CHEBI:50498
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh7-8H%2C2-6%2C9-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1

CHEBI CHEBI:17308
structure data: InChI%3D1S%2FC6H10O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29

CHEBI CHEBI:14030
structure data: InChI%3D1S%2FC18H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-5%2C8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb10-9-

CHEBI CHEBI:18167
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11%2B%2C12-%2Fm1%2Fs1

CHEBI CHEBI:28518
structure data: InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2-%2C3%2B%2C4-%2C5%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure165140
structure data: <cml> <molecule id="Sulfhydryls" title="R'C(R)SH" formalCharge="0" dictRef="dictSulfhydryls"> <atomArray> <atom id="Sulfhydryls-atom1" elementType="C" x2="-84380.0" y2="-40620.0"/> <atom id="Sulfhydryls-atom2" elementType="S" x2="-12930.0" y2="630.0"/> <atom id="Sulfhydryls-atom3" elementType="R1" x2="-155820.0" y2="630.0"/> <atom id="Sulfhydryls-atom4" elementType="R2" x2="-84380.0" y2="-123120.0"/> </atomArray> <bondArray> <bond id="Sulfhydryls-bond1" atomRefs="Sulfhydryls-atom1 Sulfhydryls-atom2" order="1"/> <bond id="Sulfhydryls-bond2" atomRefs="Sulfhydryls-atom1 Sulfhydryls-atom3" order="1"/> <bond id="Sulfhydryls-bond3" atomRefs="Sulfhydryls-atom1 Sulfhydryls-atom4" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R2])([R1])S</string> </molecule> </cml>

CHEBI CHEBI:48950
structure data: InChI%3D1S%2FC4H10N2O2%2Fc5-2-1-3%286%294%287%298%2Fh3H%2C1-2%2C5-6H2%2C%28H%2C7%2C8%29%2Ft3-%2Fm0%2Fs1

biopax-level3ChemicalStructure131746
structure data: <atom id="XANTHOSINE-5-PHOSPHATE-atom1" elementType="O" x2="3196.0" y2="-5707.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom2" elementType="O" x2="1859.0" y2="-3229.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom3" elementType="O" x2="838.0" y2="-2696.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom4" elementType="O" x2="2849.0" y2="0.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom5" elementType="O" x2="4186.0" y2="0.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom6" elementType="O" x2="838.0" y2="-1033.0" formalCharge="-1"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom7" elementType="O" x2="0.0" y2="-1848.0" formalCharge="-1"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom8" elementType="C" x2="5186.0" y2="-4077.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom9" elementType="C" x2="2435.0" y2="-1848.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom10" elementType="N" x2="4610.0" y2="-4816.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom11" elementType="O" x2="1609.0" y2="-1848.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom12" elementType="O" x2="3533.0" y2="-1924.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom13" elementType="C" x2="3196.0" y2="-4881.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom14" elementType="C" x2="2522.0" y2="-3718.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom15" elementType="C" x2="3881.0" y2="-4512.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom16" elementType="C" x2="3881.0" y2="-3707.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom17" elementType="N" x2="2522.0" y2="-4468.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom18" elementType="N" x2="3229.0" y2="-3240.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom19" elementType="N" x2="4621.0" y2="-3316.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom20" elementType="C" x2="2849.0" y2="-500.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom21" elementType="C" x2="4186.0" y2="-500.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom22" elementType="C" x2="2435.0" y2="-1326.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom23" elementType="C" x2="4621.0" y2="-1446.0"/> <atom id="XANTHOSINE-5-PHOSPHATE-atom24" elementType="P"…

CHEBI CHEBI:27889
structure data: InChI%3D1S%2FPb

CHEBI CHEBI:34660
structure data: InChI%3D1S%2FC3H7N%2Fc4-3-1-2-3%2Fh3H%2C1-2%2C4H2

CHEBI CHEBI:32631
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Fp-1%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:16774
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11%2C16H%2C5-6%2C8%2C10%2C12H2%2C1-4H3%2Fb14-9%2B%2C15-11-

CHEBI CHEBI:41981
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi%2FhD2

CHEBI CHEBI:16207
structure data: InChI%3D1S%2FC7H6O2%2Fc8-5-6-2-1-3-7%289%294-6%2Fh1-5%2C9H

CHEBI CHEBI:17500
structure data: InChI%3D1S%2FC27H46O2%2Fc1-17%282%297-6-8-18%283%2921-9-10-22-25-23%2812-14-27%2821%2C22%295%2926%284%2913-11-20%2828%2915-19%2826%2916-24%2825%2929%2Fh16-18%2C20-25%2C28-29H%2C6-15H2%2C1-5H3%2Ft18-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:8214
structure data: InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3

CHEBI CHEBI:60957
structure data: InChI%3D1S%2FC18H30O3%2Fc1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18%2819%2920%2Fh7%2C10%2C13-14%2C16-17H%2C2-6%2C8-9%2C11-12%2C15H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb10-7-%2C16-13%2B%2C17-14%2B

CHEBI CHEBI:63861
structure data: InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

CHEBI CHEBI:3828
structure data: InChI%3D1S%2FC14H14O4%2Fc1-14%282%2C16%2911-7-9-10%2817-11%295-3-8-4-6-12%2815%2918-13%288%299%2Fh3-6%2C11%2C16H%2C7H2%2C1-2H3%2Ft11-%2Fm1%2Fs1

biopax-level3ChemicalStructure142570
structure data: <cml> <molecule id="GlcA-n-3-O-sulfoGlcNS" title="heparan sulfate containing a glucuronate--N,3-O-disulfo-D-glucosamine disaccharide" formalCharge="-2"> <atomArray> <atom id="GlcA-n-3-O-sulfoGlcNS-atom1" elementType="O" x2="1570.0" y2="1003.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom2" elementType="O" x2="1413.0" y2="1008.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom3" elementType="O" x2="1239.0" y2="1191.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom4" elementType="O" x2="1413.0" y2="1256.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom5" elementType="O" x2="1064.0" y2="1208.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom6" elementType="O" x2="921.0" y2="1373.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom7" elementType="O" x2="1064.0" y2="1457.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom8" elementType="O" x2="1197.0" y2="1049.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom9" elementType="O" x2="922.0" y2="1126.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom10" elementType="O" x2="849.0" y2="1250.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom11" elementType="C" x2="1413.0" y2="1173.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom12" elementType="C" x2="1484.0" y2="1131.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom13" elementType="C" x2="1340.0" y2="1131.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom14" elementType="C" x2="1484.0" y2="1049.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom15" elementType="C" x2="1340.0" y2="1049.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom16" elementType="C" x2="1136.0" y2="1250.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom17" elementType="C" x2="1136.0" y2="1332.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom18" elementType="C" x2="1064.0" y2="1373.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom19" elementType="C" x2="993.0" y2="1332.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom20" elementType="C" x2="993.0" y2="1250.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom21" elementType="C" x2="1269.0" y2="1008.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom22" elementType="C" x2="922.0" y2="1208.0"/> <atom id="GlcA-n-3-O-sulfoGlcNS-atom23" elemen…

biopax-level3ChemicalStructure169724
structure data: <atom id="CPD-5845-atom1" elementType="C" x2="954.0" y2="703.0"/> <atom id="CPD-5845-atom2" elementType="C" x2="1026.0" y2="743.0"/> <atom id="CPD-5845-atom3" elementType="C" x2="883.0" y2="744.0"/> <atom id="CPD-5845-atom4" elementType="C" x2="953.0" y2="618.0"/> <atom id="CPD-5845-atom5" elementType="C" x2="1099.0" y2="702.0"/> <atom id="CPD-5845-atom6" elementType="C" x2="1025.0" y2="834.0"/> <atom id="CPD-5845-atom7" elementType="C" x2="883.0" y2="826.0"/> <atom id="CPD-5845-atom8" elementType="C" x2="811.0" y2="704.0"/> <atom id="CPD-5845-atom9" elementType="C" x2="871.0" y2="669.0"/> <atom id="CPD-5845-atom10" elementType="C" x2="1025.0" y2="577.0"/> <atom id="CPD-5845-atom11" elementType="C" x2="1099.0" y2="618.0"/> <atom id="CPD-5845-atom12" elementType="C" x2="1244.0" y2="699.0"/> <atom id="CPD-5845-atom13" elementType="C" x2="954.0" y2="868.0"/> <atom id="CPD-5845-atom14" elementType="C" x2="811.0" y2="868.0"/> <atom id="CPD-5845-atom15" elementType="C" x2="741.0" y2="744.0"/> <atom id="CPD-5845-atom16" elementType="C" x2="1171.0" y2="577.0"/> <atom id="CPD-5845-atom17" elementType="C" x2="1096.0" y2="532.0"/> <atom id="CPD-5845-atom18" elementType="C" x2="1244.0" y2="618.0"/> <atom id="CPD-5845-atom19" elementType="C" x2="741.0" y2="826.0"/> <atom id="CPD-5845-atom20" elementType="C" x2="859.0" y2="963.0"/> <atom id="CPD-5845-atom21" elementType="C" x2="765.0" y2="955.0"/> <atom id="CPD-5845-atom22" elementType="C" x2="1171.0" y2="494.0"/> <atom id="CPD-5845-atom23" elementType="O" x2="669.0" y2="867.0"/> <atom id="CPD-5845-atom24" elementType="C" x2="1243.0" y2="455.0"/> <atom id="CPD-5845-atom25" elementType="C" x2="1101.0" y2="454.0"/> <atom id="CPD-5845-atom26" elementType="C" x2="1312.0" y2="495.0"/> <atom id="CPD-5845-atom27" elementType="C" x2="1312.0" y2="577.0"/> <atom id="CPD-5845-atom28" elementType="C" x2="1420.0" y2="577.0"/> <atom id="CPD-5845-atom29" elementType="C" x2="1461.0" y2="507.0"/> <atom id="CPD-5845-atom30" elementType="C" x2="146…

CHEBI CHEBI:30959
structure data: InChI%3D1S%2FC8H9NO4%2Fc1-4-7%2811%296%288%2812%2913%295%283-10%292-9-4%2Fh2%2C10-11H%2C3H2%2C1H3%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:37516
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-3-1-14-6%2810%2C5%289%294%283%298%292-15-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft3-%2C4-%2C5%2B%2C6%3F%2Fm1%2Fs1

biopax-level3ChemicalStructure137786
structure data: <atom id="CPD-649-atom1" elementType="C" x2="42397.0" y2="21267.0"/> <atom id="CPD-649-atom2" elementType="N" x2="50647.0" y2="21267.0" formalCharge="1"/> <atom id="CPD-649-atom3" elementType="C" x2="42397.0" y2="13017.0"/> <atom id="CPD-649-atom4" elementType="C" x2="42397.0" y2="29517.0"/> <atom id="CPD-649-atom5" elementType="O" x2="34147.0" y2="29472.0"/> <atom id="CPD-649-atom6" elementType="C" x2="42397.0" y2="37767.0"/> <atom id="CPD-649-atom7" elementType="O" x2="49542.0" y2="8891.0"/> <atom id="CPD-649-atom8" elementType="C" x2="49542.0" y2="41892.0"/> <atom id="CPD-649-atom9" elementType="C" x2="56686.0" y2="37767.0"/> <atom id="CPD-649-atom10" elementType="C" x2="63831.0" y2="41892.0"/> <atom id="CPD-649-atom11" elementType="C" x2="70976.0" y2="37767.0"/> <atom id="CPD-649-atom12" elementType="C" x2="78121.0" y2="41892.0"/> <atom id="CPD-649-atom13" elementType="C" x2="85266.0" y2="37767.0"/> <atom id="CPD-649-atom14" elementType="C" x2="92411.0" y2="41892.0"/> <atom id="CPD-649-atom15" elementType="C" x2="99555.0" y2="37767.0"/> <atom id="CPD-649-atom16" elementType="C" x2="106700.0" y2="41892.0"/> <atom id="CPD-649-atom17" elementType="C" x2="113846.0" y2="37767.0"/> <atom id="CPD-649-atom18" elementType="C" x2="120990.0" y2="41892.0"/> <atom id="CPD-649-atom19" elementType="C" x2="128135.0" y2="37767.0"/> <atom id="CPD-649-atom20" elementType="C" x2="135280.0" y2="41892.0"/> <atom id="CPD-649-atom21" elementType="C" x2="142424.0" y2="37767.0"/> <atom id="CPD-649-atom22" elementType="P" x2="57751.0" y2="8846.0"/> <atom id="CPD-649-atom23" elementType="O" x2="66001.0" y2="8846.0" formalCharge="-1"/> <atom id="CPD-649-atom24" elementType="O" x2="57728.0" y2="596.0" formalCharge="-1"/> <atom id="CPD-649-atom25" elementType="O" x2="57734.0" y2="17097.0"/> <bond id="CPD-649-bond1" atomRefs="CPD-649-atom22 CPD-649-atom25" order="2"/> <bond id="CPD-649-bond2" atomRefs="CPD-649-atom22 CPD-649-atom24" order="1"/> <bond id="CPD-649-bond3" atomRefs="CPD-649-atom22…

CHEBI CHEBI:16196
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fb10-9-

CHEBI CHEBI:15833
structure data: InChI%3D1S%2FC8H16O%2Fc1-7%282%295-4-6-8%283%299%2Fh5%2C8-9H%2C4%2C6H2%2C1-3H3

biopax-level3ChemicalStructure140894
structure data: <atom id="CPD-309-atom1" elementType="N" x2="58516.0" y2="22356.0" formalCharge="1"/> <atom id="CPD-309-atom2" elementType="C" x2="58237.0" y2="13755.0"/> <atom id="CPD-309-atom3" elementType="C" x2="65956.0" y2="11014.0"/> <atom id="CPD-309-atom4" elementType="O" x2="65956.0" y2="2834.0"/> <atom id="CPD-309-atom5" elementType="C" x2="51387.0" y2="9146.0"/> <atom id="CPD-309-atom6" elementType="C" x2="43618.0" y2="11922.0"/> <atom id="CPD-309-atom7" elementType="C" x2="38411.0" y2="5571.0"/> <atom id="CPD-309-atom8" elementType="N" x2="27476.0" y2="5519.0"/> <atom id="CPD-309-atom9" elementType="C" x2="23448.0" y2="-1725.0"/> <atom id="CPD-309-atom10" elementType="N" x2="27783.0" y2="-9008.0" formalCharge="1"/> <atom id="CPD-309-atom11" elementType="N" x2="15467.0" y2="-1962.0"/> <atom id="CPD-309-atom12" elementType="O" x2="72701.0" y2="15776.0" formalCharge="-1"/> <atom id="CPD-309-atom13" elementType="C" x2="48567.0" y2="28962.0"/> <atom id="CPD-309-atom14" elementType="C" x2="48605.0" y2="37168.0"/> <atom id="CPD-309-atom15" elementType="C" x2="41286.0" y2="25067.0"/> <atom id="CPD-309-atom16" elementType="O" x2="41642.0" y2="17091.0" formalCharge="-1"/> <atom id="CPD-309-atom17" elementType="O" x2="34287.0" y2="29449.0"/> <bond id="CPD-309-bond1" atomRefs="CPD-309-atom13 CPD-309-atom15" order="1"/> <bond id="CPD-309-bond2" atomRefs="CPD-309-atom15 CPD-309-atom17" order="2"/> <bond id="CPD-309-bond3" atomRefs="CPD-309-atom15 CPD-309-atom16" order="1"/> <bond id="CPD-309-bond4" atomRefs="CPD-309-atom13 CPD-309-atom14" order="1"/> <bond id="CPD-309-bond5" atomRefs="CPD-309-atom1 CPD-309-atom13" order="1"/> <bond id="CPD-309-bond6" atomRefs="CPD-309-atom3 CPD-309-atom12" order="1"/> <bond id="CPD-309-bond7" atomRefs="CPD-309-atom8 CPD-309-atom9" order="1"/> <bond id="CPD-309-bond8" atomRefs="CPD-309-atom9 CPD-309-atom11" order="1"/> <bond id="CPD-309-bond9" atomRefs="CPD-309-atom9 CPD-309-atom10" order="2"/> <bond id="CPD-309-bond10" atomRefs="CPD-309-atom7 CPD-309…

biopax-level3ChemicalStructure147019
structure data: <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom1" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom2" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom3" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom4" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom5" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom6" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom7" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom8" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom9" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom10" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom11" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom12" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom13" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom14" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom15" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom16" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom17" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom18" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom19" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom20" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-atom21" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="INOSITOL-1-3-4-TRIPHOSPHATE-…

CHEBI CHEBI:61652
structure data: InChI%3D1S%2FC35H58O7%2Fc1-20%282%298-7-9-21%283%2926-12-13-27-25-11-10-23-18-24%2814-16-34%2823%2C5%2928%2825%2915-17-35%2826%2C27%296%2941-33-32%2839%2931%2838%2930%2837%2929%2842-33%2919-40-22%284%2936%2Fh10%2C20-21%2C24-33%2C37-39H%2C7-9%2C11-19H2%2C1-6H3%2Ft21-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29-%2C30%2B%2C31%2B%2C32-%2C33-%2C34%2B%2C35-%2Fm1%2Fs1

CHEBI CHEBI:58804
structure data: InChI%3D1S%2FC24H34O4%2Fc1-14%284-9-22%2827%2928%2918-7-8-19-17-6-5-15-12-16%2825%2910-11-23%2815%2C2%2920%2817%2913-21%2826%2924%2818%2C19%293%2Fh5-6%2C12%2C14%2C17-21%2C26H%2C4%2C7-11%2C13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Fp-1%2Ft14-%2C17%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2C23%2B%2C24-%2Fm1%2Fs1

CHEBI CHEBI:8934
structure data: InChI%3D1S%2FC9H7BrO3S%2Fc10-6-1-3-7%284-2-6%2914-5-8%2811%299%2812%2913%2Fh1-4H%2C5H2%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure132338
structure data: <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom1" elementType="C" x2="-1788.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom2" elementType="O" x2="349.0" y2="-1185.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom3" elementType="O" x2="-3226.0" y2="-2412.0" formalCharge="-1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom4" elementType="C" x2="1756.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom5" elementType="C" x2="-2507.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom6" elementType="C" x2="1756.0" y2="-1047.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom7" elementType="C" x2="-1058.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom8" elementType="N" x2="-1788.0" y2="-3226.0" formalCharge="1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom9" elementType="O" x2="-2507.0" y2="-1185.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom10" elementType="N" x2="1069.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom11" elementType="C" x2="-370.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom12" elementType="C" x2="349.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom13" elementType="C" x2="2486.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom14" elementType="S" x2="3216.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom15" elementType="O" x2="2470.0" y2="-634.0" formalCharge="-1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom16" elementType="O" x2="1042.0" y2="-634.0"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond1" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom14 L-GAMMA-GLUTAMYLCYSTEINE-atom13" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond2" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom13 L-GAMMA-GLUTAMYLCYSTEINE-atom4" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond3" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom12 L-GAMMA-GLUTAMYLCYSTEINE-atom10" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond4" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom11 L-GAMMA-GLUTAMYLCYSTEINE-atom12" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond5" atomRefs="L-GAMMA-GLU…

biopax-level3ChemicalStructure141472
structure data: <atom id="N-FORMYLKYNURENINE-atom1" elementType="C" x2="-6129.0" y2="1407.0"/> <atom id="N-FORMYLKYNURENINE-atom2" elementType="C" x2="-13273.0" y2="5532.0"/> <atom id="N-FORMYLKYNURENINE-atom3" elementType="C" x2="-13273.0" y2="13782.0"/> <atom id="N-FORMYLKYNURENINE-atom4" elementType="C" x2="-6129.0" y2="17907.0"/> <atom id="N-FORMYLKYNURENINE-atom5" elementType="C" x2="1016.0" y2="13782.0"/> <atom id="N-FORMYLKYNURENINE-atom6" elementType="C" x2="1016.0" y2="5532.0"/> <atom id="N-FORMYLKYNURENINE-atom7" elementType="N" x2="8161.0" y2="1407.0"/> <atom id="N-FORMYLKYNURENINE-atom8" elementType="C" x2="15305.0" y2="5532.0"/> <atom id="N-FORMYLKYNURENINE-atom9" elementType="O" x2="15305.0" y2="13782.0"/> <atom id="N-FORMYLKYNURENINE-atom10" elementType="C" x2="-6129.0" y2="-6843.0"/> <atom id="N-FORMYLKYNURENINE-atom11" elementType="O" x2="1016.0" y2="-10968.0"/> <atom id="N-FORMYLKYNURENINE-atom12" elementType="C" x2="-11962.0" y2="-12677.0"/> <atom id="N-FORMYLKYNURENINE-atom13" elementType="C" x2="-11962.0" y2="-20927.0"/> <atom id="N-FORMYLKYNURENINE-atom14" elementType="N" x2="-4732.0" y2="-24901.0"/> <atom id="N-FORMYLKYNURENINE-atom15" elementType="C" x2="-17796.0" y2="-26760.0"/> <atom id="N-FORMYLKYNURENINE-atom16" elementType="O" x2="-17796.0" y2="-35010.0"/> <atom id="N-FORMYLKYNURENINE-atom17" elementType="O" x2="-24941.0" y2="-22635.0"/> <bond id="N-FORMYLKYNURENINE-bond1" atomRefs="N-FORMYLKYNURENINE-atom1 N-FORMYLKYNURENINE-atom2" order="1"/> <bond id="N-FORMYLKYNURENINE-bond2" atomRefs="N-FORMYLKYNURENINE-atom1 N-FORMYLKYNURENINE-atom6" order="2"/> <bond id="N-FORMYLKYNURENINE-bond3" atomRefs="N-FORMYLKYNURENINE-atom2 N-FORMYLKYNURENINE-atom3" order="2"/> <bond id="N-FORMYLKYNURENINE-bond4" atomRefs="N-FORMYLKYNURENINE-atom3 N-FORMYLKYNURENINE-atom4" order="1"/> <bond id="N-FORMYLKYNURENINE-bond5" atomRefs="N-FORMYLKYNURENINE-atom4 N-FORMYLKYNURENINE-atom5" order="2"/> <bond id="N-FORMYLKYNURENINE-bond6" atomRefs="N-FORMYLKYNURENINE-atom5 N-FORMYLKYN…

CHEBI CHEBI:51329
structure data: InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3%2Ft22-%2Fm0%2Fs1

CHEBI CHEBI:18005
structure data: InChI%3D1S%2FC9H8O3%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:28952
structure data: InChI%3D1S%2FC21H32O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh14%2C16-19H%2C4-12H2%2C1-3H3%2Ft14-%2C16-%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1

CHEBI CHEBI:44096
structure data: InChI%3D1S%2FC9H17NO6%2Fc1-4%2812%2910-6-8%2814%297%2813%295%283-11%2916-9%286%2915-2%2Fh5-9%2C11%2C13-14H%2C3H2%2C1-2H3%2C%28H%2C10%2C12%29%2Ft5-%2C6-%2C7%2B%2C8-%2C9%2B%2Fm1%2Fs1

CHEBI CHEBI:48688
structure data: InChI%3D1S%2FC15H22O%2Fc1-11-4-9-14%2815%2811%2C2%293%2913-7-5-12%2810-16%296-8-13%2Fh4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2%2C1-3H3

CHEBI CHEBI:16865
structure data: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

CHEBI CHEBI:59888
structure data: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

biopax-level3ChemicalStructure147284
structure data: <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom1" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom2" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom3" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom4" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom5" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom6" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom7" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom8" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom9" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom10" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom11" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom12" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom13" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom14" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom15" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom16" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom17" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom18" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom19" elementType="P" x2="4365.0" y2="-5775.0"/> <atom id="D-MYO-INOSITOL-13-BISPHOSPHATE-atom20" elementType="P" x2="2208.0" y2="-2089.0"/> <bond id="D-MYO-INOSITOL-13-BISPHOSPHATE-bond1" atomRefs="D-MYO-INOSITOL-13-BISPHOSPHATE-atom17 D…

CHEBI CHEBI:32369
structure data: InChI%3D1S%2FC11H22O2%2Fc1-2-3-4-5-6-7-8-9-10-11%2812%2913%2Fh2-10H2%2C1H3%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:15994
structure data: InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh12%2C14-16H%2C3-11H2%2C1-2H3%2Ft12-%2C14-%2C15-%2C16-%2C18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:28037
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-3%2811%299-5-7%2813%296%2812%294%282-10%2915-8%285%2914%2Fh4-8%2C10%2C12-14H%2C2H2%2C1H3%2C%28H%2C9%2C11%29%2Ft4-%2C5-%2C6%2B%2C7-%2C8%3F%2Fm1%2Fs1

CHEBI CHEBI:62416
structure data: InChI%3D1S%2FC30H52O2%2Fc1-20%282%2910-9-16-30%288%2C32%2922-13-18-28%286%2921%2822%2911-12-24-27%285%2917-15-25%2831%2926%283%2C4%2923%2827%2914-19-29%2824%2C28%297%2Fh10%2C21-25%2C31-32H%2C9%2C11-19H2%2C1-8H3%2Ft21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C27%2B%2C28-%2C29-%2C30%2B%2Fm1%2Fs1

CHEBI CHEBI:33811
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi%2FhT

CHEBI CHEBI:63702
structure data: InChI%3D1S%2FC15H26O%2Fc1-9-5-6-11%2816%2915%284%298-7-10-13%2812%289%2915%2914%2810%2C2%293%2Fh9-13%2C16H%2C5-8H2%2C1-4H3%2Ft9-%2C10-%2C11%2B%2C12%2B%2C13-%2C15-%2Fm1%2Fs1

CHEBI CHEBI:58875
structure data: InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-22%2827%2928%2917-5-6-18-16-13-21%2826%2920-12-15%2825%298-10-24%2820%2C3%2919%2816%299-11-23%2817%2C18%292%2Fh14-21%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Fp-1%2Ft14-%2C15-%2C16%2B%2C17-%2C18%2B%2C19%2B%2C20%2B%2C21%2B%2C23-%2C24-%2Fm1%2Fs1

biopax-level3ChemicalStructure149618
structure data: <atom id="Jasmonic-Acids-atom1" elementType="C" x2="12174.0" y2="-15658.0"/> <atom id="Jasmonic-Acids-atom2" elementType="O" x2="9729.0" y2="-1167.0" formalCharge="-1"/> <atom id="Jasmonic-Acids-atom3" elementType="C" x2="-20370.0" y2="-3155.0"/> <atom id="Jasmonic-Acids-atom4" elementType="C" x2="-3912.0" y2="-1975.0"/> <atom id="Jasmonic-Acids-atom5" elementType="O" x2="9729.0" y2="-8087.0"/> <atom id="Jasmonic-Acids-atom6" elementType="C" x2="4107.0" y2="-15613.0"/> <atom id="Jasmonic-Acids-atom7" elementType="C" x2="-11202.0" y2="-5059.0"/> <atom id="Jasmonic-Acids-atom8" elementType="C" x2="4367.0" y2="-4887.0"/> <atom id="Jasmonic-Acids-atom9" elementType="C" x2="24434.0" y2="-14487.0"/> <atom id="Jasmonic-Acids-atom10" elementType="C" x2="-24520.0" y2="-10681.0"/> <atom id="Jasmonic-Acids-atom11" elementType="C" x2="-11202.0" y2="-15353.0"/> <atom id="Jasmonic-Acids-atom12" elementType="C" x2="-2755.0" y2="-19545.0"/> <atom id="Jasmonic-Acids-atom13" elementType="C" x2="17988.0" y2="-19635.0"/> <atom id="Jasmonic-Acids-atom14" elementType="O" x2="-22963.0" y2="-24520.0"/> <atom id="Jasmonic-Acids-atom15" elementType="C" x2="-20370.0" y2="-17601.0"/> <bond id="Jasmonic-Acids-bond1" atomRefs="Jasmonic-Acids-atom1 Jasmonic-Acids-atom6" order="2"/> <bond id="Jasmonic-Acids-bond2" atomRefs="Jasmonic-Acids-atom2 Jasmonic-Acids-atom8" order="1"/> <bond id="Jasmonic-Acids-bond3" atomRefs="Jasmonic-Acids-atom3 Jasmonic-Acids-atom7" order="1"/> <bond id="Jasmonic-Acids-bond4" atomRefs="Jasmonic-Acids-atom4 Jasmonic-Acids-atom8" order="1"/> <bond id="Jasmonic-Acids-bond5" atomRefs="Jasmonic-Acids-atom5 Jasmonic-Acids-atom8" order="2"/> <bond id="Jasmonic-Acids-bond6" atomRefs="Jasmonic-Acids-atom6 Jasmonic-Acids-atom12" order="1"/> <bond id="Jasmonic-Acids-bond7" atomRefs="Jasmonic-Acids-atom7 Jasmonic-Acids-atom4" order="1"/> <bond id="Jasmonic-Acids-bond8" atomRefs="Jasmonic-Acids-atom9 Jasmonic-Acids-atom13" order="1"/> <bond id="Jasmonic-Acids-bond9" atomRefs="Jasmo…

CHEBI CHEBI:17434
structure data: InChI%3D1S%2FC3H9S%2Fc1-4%282%293%2Fh1-3H3%2Fq%2B1

biopax-level3ChemicalStructure144336
structure data: <cml> <molecule id="Heparan-sulfate-L-IdoA-2S" title="[heparan-sulfate]-2-O-sulfo-alpha-L-iduronate" formalCharge="-1" dictRef="dictHeparan-sulfate-L-IdoA-2S"> <atomArray> <atom id="Heparan-sulfate-L-IdoA-2S-atom1" elementType="O" x2="1311.0" y2="1172.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom2" elementType="O" x2="1167.0" y2="1172.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom3" elementType="O" x2="1311.0" y2="1337.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom4" elementType="O" x2="1168.0" y2="1421.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom5" elementType="O" x2="1023.0" y2="1089.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom6" elementType="O" x2="952.0" y2="1212.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom7" elementType="C" x2="1240.0" y2="1213.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom8" elementType="C" x2="1240.0" y2="1296.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom9" elementType="C" x2="1096.0" y2="1212.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom10" elementType="C" x2="1168.0" y2="1337.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom11" elementType="C" x2="1096.0" y2="1295.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom12" elementType="C" x2="1023.0" y2="1172.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom13" elementType="O" x2="1022.0" y2="1335.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom14" elementType="R1" x2="951.0" y2="1376.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom15" elementType="R2" x2="1383.0" y2="1130.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom16" elementType="S" x2="1393.0" y2="1337.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom17" elementType="O" x2="1476.0" y2="1337.0" formalCharge="-1"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom18" elementType="O" x2="1393.0" y2="1255.0"/> <atom id="Heparan-sulfate-L-IdoA-2S-atom19" elementType="O" x2="1393.0" y2="1420.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-L-IdoA-2S-bond1" atomRefs="Heparan-sulfate-L-IdoA-2S-atom7 Heparan-sulfate-L-IdoA-2S-atom1" order="1"/> <bond id="Heparan-sulfate-L-Id…

biopax-level3ChemicalStructure134098
structure data: <atom id="CPD-4541-atom1" elementType="C" x2="5001.0" y2="-3712.0"/> <atom id="CPD-4541-atom2" elementType="C" x2="1429.0" y2="-7425.0"/> <atom id="CPD-4541-atom3" elementType="C" x2="0.0" y2="-7425.0"/> <atom id="CPD-4541-atom4" elementType="C" x2="3572.0" y2="-6188.0"/> <atom id="CPD-4541-atom5" elementType="C" x2="2858.0" y2="-5775.0"/> <atom id="CPD-4541-atom6" elementType="C" x2="4287.0" y2="-5775.0"/> <atom id="CPD-4541-atom7" elementType="C" x2="2858.0" y2="-4950.0"/> <atom id="CPD-4541-atom8" elementType="C" x2="4287.0" y2="-4950.0"/> <atom id="CPD-4541-atom9" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-4541-atom10" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-4541-atom11" elementType="C" x2="714.0" y2="-3712.0"/> <atom id="CPD-4541-atom12" elementType="C" x2="1429.0" y2="-4950.0"/> <atom id="CPD-4541-atom13" elementType="C" x2="3572.0" y2="-2062.0"/> <atom id="CPD-4541-atom14" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-4541-atom15" elementType="C" x2="1429.0" y2="-3300.0"/> <atom id="CPD-4541-atom16" elementType="C" x2="2143.0" y2="-4538.0"/> <atom id="CPD-4541-atom17" elementType="C" x2="4287.0" y2="-3300.0"/> <atom id="CPD-4541-atom18" elementType="C" x2="0.0" y2="-5775.0"/> <atom id="CPD-4541-atom19" elementType="C" x2="714.0" y2="-6188.0"/> <atom id="CPD-4541-atom20" elementType="O" x2="0.0" y2="-4950.0"/> <atom id="CPD-4541-atom21" elementType="C" x2="3572.0" y2="-3712.0"/> <atom id="CPD-4541-atom22" elementType="C" x2="2858.0" y2="-3300.0"/> <atom id="CPD-4541-atom23" elementType="C" x2="2858.0" y2="-825.0"/> <atom id="CPD-4541-atom24" elementType="C" x2="714.0" y2="-4538.0"/> <atom id="CPD-4541-atom25" elementType="C" x2="3572.0" y2="-4538.0"/> <atom id="CPD-4541-atom26" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="CPD-4541-atom27" elementType="C" x2="2143.0" y2="-3712.0"/> <atom id="CPD-4541-atom28" elementType="N" x2="714.0" y2="-7012.0" formalCharge="1"/> <bond id="CPD-4541-bond1" atomRefs="CPD-4541-a…

CHEBI CHEBI:2290
structure data: InChI%3D1S%2FC27H46O2%2Fc1-17%282%297-6-8-18%283%2921-9-10-22-25-23%2812-14-27%2821%2C22%295%2926%284%2913-11-20%2828%2915-19%2826%2916-24%2825%2929%2Fh17-19%2C21-25%2C29H%2C6-16H2%2C1-5H3%2Ft18-%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:60074
structure data: InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3%2Ft14-%2Fm1%2Fs1

biopax-level3ChemicalStructure132781
structure data: <cml> <molecule id="Fatty-Acyl-CoA" title="a long-chain acyl-CoA" formalCharge="-4" dictRef="dictFatty-Acyl-CoA"> <atomArray> <atom id="Fatty-Acyl-CoA-atom1" elementType="O" x2="173960.0" y2="-488740.0"/> <atom id="Fatty-Acyl-CoA-atom2" elementType="R" x2="247130.0" y2="-366010.0"/> <atom id="Fatty-Acyl-CoA-atom3" elementType="S" x2="104250.0" y2="-364010.0"/> <atom id="Fatty-Acyl-CoA-atom4" elementType="C" x2="175110.0" y2="-406250.0"/> <atom id="Fatty-Acyl-CoA-atom5" elementType="C" x2="-421230.0" y2="113310.0"/> <atom id="Fatty-Acyl-CoA-atom6" elementType="O" x2="-741600.0" y2="-76280.0" formalCharge="-1"/> <atom id="Fatty-Acyl-CoA-atom7" elementType="O" x2="-396300.0" y2="258180.0"/> <atom id="Fatty-Acyl-CoA-atom8" elementType="O" x2="-605580.0" y2="-225730.0" formalCharge="-1"/> <atom id="Fatty-Acyl-CoA-atom9" elementType="N" x2="-343120.0" y2="86770.0"/> <atom id="Fatty-Acyl-CoA-atom10" elementType="N" x2="-266010.0" y2="216280.0"/> <atom id="Fatty-Acyl-CoA-atom11" elementType="O" x2="-710040.0" y2="38770.0"/> <atom id="Fatty-Acyl-CoA-atom12" elementType="N" x2="-236180.0" y2="6870.0"/> <atom id="Fatty-Acyl-CoA-atom13" elementType="N" x2="-395820.0" y2="-405990.0"/> <atom id="Fatty-Acyl-CoA-atom14" elementType="O" x2="-657990.0" y2="343350.0" formalCharge="-1"/> <atom id="Fatty-Acyl-CoA-atom15" elementType="O" x2="-630450.0" y2="-111740.0"/> <atom id="Fatty-Acyl-CoA-atom16" elementType="C" x2="-528170.0" y2="193190.0"/> <atom id="Fatty-Acyl-CoA-atom17" elementType="C" x2="-610220.0" y2="-365050.0"/> <atom id="Fatty-Acyl-CoA-atom18" elementType="C" x2="-275730.0" y2="134360.0"/> <atom id="Fatty-Acyl-CoA-atom19" elementType="P" x2="-668290.0" y2="-38430.0"/> <atom id="Fatty-Acyl-CoA-atom20" elementType="C" x2="-190210.0" y2="248830.0"/> <atom id="Fatty-Acyl-CoA-atom21" elementType="O" x2="-488620.0" y2="65710.0"/> <atom id="Fatty-Acyl-CoA-atom22" elementType="O" x2="-492990.0" y2="342800.0"/> <atom id="Fatty-Acyl-CoA-atom23" elementType="O" x2="-575220.0" y2="42…

biopax-level3ChemicalStructure138608
structure data: <atom id="CPD-11394-atom1" elementType="C" x2="-2515700.0" y2="-1331900.0"/> <atom id="CPD-11394-atom2" elementType="C" x2="-3313400.0" y2="-1121400.0"/> <atom id="CPD-11394-atom3" elementType="C" x2="-3359600.0" y2="-297700.0"/> <atom id="CPD-11394-atom4" elementType="C" x2="-2590600.0" y2="900.0"/> <atom id="CPD-11394-atom5" elementType="N" x2="-2069000.0" y2="-638300.0"/> <atom id="CPD-11394-atom6" elementType="C" x2="-2590600.0" y2="825900.0"/> <atom id="CPD-11394-atom7" elementType="O" x2="-3173900.0" y2="1409200.0" formalCharge="-1"/> <atom id="CPD-11394-atom8" elementType="O" x2="-1876100.0" y2="1238400.0"/> <atom id="CPD-11394-atom9" elementType="C" x2="-1244000.0" y2="-638300.0"/> <atom id="CPD-11394-atom10" elementType="C" x2="-831500.0" y2="-1352800.0"/> <atom id="CPD-11394-atom11" elementType="O" x2="-6500.0" y2="-1352800.0"/> <atom id="CPD-11394-atom12" elementType="P" x2="406000.0" y2="-2067200.0"/> <atom id="CPD-11394-atom13" elementType="O" x2="1231000.0" y2="-2067200.0"/> <atom id="CPD-11394-atom14" elementType="P" x2="1643500.0" y2="-2781700.0"/> <atom id="CPD-11394-atom15" elementType="O" x2="2468500.0" y2="-2781700.0" formalCharge="-1"/> <atom id="CPD-11394-atom16" elementType="O" x2="-743100.0" y2="76200.0"/> <atom id="CPD-11394-atom17" elementType="O" x2="-6500.0" y2="-2781700.0" formalCharge="-1"/> <atom id="CPD-11394-atom18" elementType="O" x2="818500.0" y2="-1352800.0"/> <atom id="CPD-11394-atom19" elementType="O" x2="1643500.0" y2="-3606700.0" formalCharge="-1"/> <atom id="CPD-11394-atom20" elementType="O" x2="2056000.0" y2="-2067200.0"/> <bond id="CPD-11394-bond1" atomRefs="CPD-11394-atom1 CPD-11394-atom2" order="1"/> <bond id="CPD-11394-bond2" atomRefs="CPD-11394-atom2 CPD-11394-atom3" order="1"/> <bond id="CPD-11394-bond3" atomRefs="CPD-11394-atom3 CPD-11394-atom4" order="1"/> <bond id="CPD-11394-bond4" atomRefs="CPD-11394-atom4 CPD-11394-atom5" order="1"/> <bond id="CPD-11394-bond5" atomRefs="CPD-11394-atom1 CPD-11394-atom5" order="1"/>…

CHEBI CHEBI:64500
structure data: InChI%3D1S%2FC46H78NO8P%2Fc1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46%2849%2955-44%2843-54-56%2850%2C51%2953-41-40-47%283%2C4%295%2942-52-45%2848%2938-36-34-32-30-28-26-19-17-15-13-11-9-7-2%2Fh8%2C10%2C14%2C16%2C20-21%2C23-24%2C26-29%2C33%2C35%2C44H%2C6-7%2C9%2C11-13%2C15%2C17-19%2C22%2C25%2C30-32%2C34%2C36-43H2%2C1-5H3%2Fb10-8-%2C16-14-%2C21-20-%2C24-23-%2C28-26-%2C29-27-%2C35-33-%2Ft44-%2Fm1%2Fs1

CHEBI CHEBI:27957
structure data: InChI%3D1S%2FC3H6O2%2Fc1-3%285%292-4%2Fh4H%2C2H2%2C1H3

CHEBI CHEBI:9522
structure data: InChI%3D1S%2FC14H16O10%2Fc15-6-1-5%282-7%2816%2910%286%2918%2912%2820%2924-9-4-14%2823%2C13%2821%2922%293-8%2817%2911%289%2919%2Fh1-2%2C8-9%2C11%2C15-19%2C23H%2C3-4H2%2C%28H%2C21%2C22%29%2Ft8-%2C9-%2C11-%2C14%2B%2Fm1%2Fs1

CHEBI CHEBI:27584
structure data: InChI%3D1S%2FC21H28O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C11%2C14-17%2C19%2C22%2C25H%2C2-7%2C9-10H2%2C1H3%2Ft14-%2C15-%2C16%2B%2C17-%2C19%2B%2C20-%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure145347
structure data: <atom id="CPD1G-773-atom1" elementType="C" x2="1741170.0" y2="-173830.0"/> <atom id="CPD1G-773-atom2" elementType="C" x2="1812610.0" y2="-215080.0"/> <atom id="CPD1G-773-atom3" elementType="C" x2="1884050.0" y2="-173830.0"/> <atom id="CPD1G-773-atom4" elementType="C" x2="1955500.0" y2="-215080.0"/> <atom id="CPD1G-773-atom5" elementType="C" x2="2026950.0" y2="-173830.0"/> <atom id="CPD1G-773-atom6" elementType="C" x2="2098390.0" y2="-215080.0"/> <atom id="CPD1G-773-atom7" elementType="C" x2="2169840.0" y2="-173830.0"/> <atom id="CPD1G-773-atom8" elementType="C" x2="2241280.0" y2="-215080.0"/> <atom id="CPD1G-773-atom9" elementType="C" x2="2312720.0" y2="-173830.0"/> <atom id="CPD1G-773-atom10" elementType="C" x2="2384170.0" y2="-215080.0"/> <atom id="CPD1G-773-atom11" elementType="C" x2="2455620.0" y2="-173830.0"/> <atom id="CPD1G-773-atom12" elementType="C" x2="2527070.0" y2="-215080.0"/> <atom id="CPD1G-773-atom13" elementType="C" x2="2598500.0" y2="-173830.0"/> <atom id="CPD1G-773-atom14" elementType="C" x2="2669950.0" y2="-215080.0"/> <atom id="CPD1G-773-atom15" elementType="C" x2="2741400.0" y2="-173830.0"/> <atom id="CPD1G-773-atom16" elementType="C" x2="2812840.0" y2="-215080.0"/> <atom id="CPD1G-773-atom17" elementType="O" x2="2812840.0" y2="-297580.0"/> <atom id="CPD1G-773-atom18" elementType="O" x2="2884280.0" y2="-173830.0"/> <atom id="CPD1G-773-atom19" elementType="O" x2="3067140.0" y2="-212130.0"/> <atom id="CPD1G-773-atom20" elementType="C" x2="2995700.0" y2="-170880.0"/> <atom id="CPD1G-773-atom21" elementType="C" x2="2995700.0" y2="-88390.0"/> <atom id="CPD1G-773-atom22" elementType="C" x2="3067140.0" y2="-47140.0"/> <atom id="CPD1G-773-atom23" elementType="C" x2="3138590.0" y2="-88390.0"/> <atom id="CPD1G-773-atom24" elementType="C" x2="3138590.0" y2="-170880.0"/> <atom id="CPD1G-773-atom25" elementType="O" x2="3067140.0" y2="35360.0"/> <atom id="CPD1G-773-atom26" elementType="O" x2="2937360.0" y2="-30060.0"/> <atom id="CPD1G-773-atom27" elementType…

biopax-level3ChemicalStructure126556
structure data: <atom id="PHE-atom1" elementType="C" x2="1421.0" y2="1138.0"/> <atom id="PHE-atom2" elementType="C" x2="1421.0" y2="1222.0"/> <atom id="PHE-atom3" elementType="C" x2="1348.0" y2="1263.0"/> <atom id="PHE-atom4" elementType="C" x2="1277.0" y2="1222.0"/> <atom id="PHE-atom5" elementType="C" x2="1277.0" y2="1138.0"/> <atom id="PHE-atom6" elementType="C" x2="1348.0" y2="1097.0"/> <atom id="PHE-atom7" elementType="C" x2="1492.0" y2="1097.0"/> <atom id="PHE-atom8" elementType="C" x2="1562.0" y2="1137.0"/> <atom id="PHE-atom9" elementType="C" x2="1634.0" y2="1097.0"/> <atom id="PHE-atom10" elementType="O" x2="1703.0" y2="1137.0" formalCharge="-1"/> <atom id="PHE-atom11" elementType="O" x2="1634.0" y2="1013.0"/> <atom id="PHE-atom12" elementType="N" x2="1562.0" y2="1222.0" formalCharge="1"/> <bond id="PHE-bond1" atomRefs="PHE-atom2 PHE-atom1" order="2"/> <bond id="PHE-bond2" atomRefs="PHE-atom3 PHE-atom2" order="1"/> <bond id="PHE-bond3" atomRefs="PHE-atom4 PHE-atom3" order="2"/> <bond id="PHE-bond4" atomRefs="PHE-atom5 PHE-atom4" order="1"/> <bond id="PHE-bond5" atomRefs="PHE-atom6 PHE-atom5" order="2"/> <bond id="PHE-bond6" atomRefs="PHE-atom1 PHE-atom6" order="1"/> <bond id="PHE-bond7" atomRefs="PHE-atom1 PHE-atom7" order="1"/> <bond id="PHE-bond8" atomRefs="PHE-atom7 PHE-atom8" order="1"/> <bond id="PHE-bond9" atomRefs="PHE-atom8 PHE-atom9" order="1"/> <bond id="PHE-bond10" atomRefs="PHE-atom9 PHE-atom10" order="1"/> <bond id="PHE-bond11" atomRefs="PHE-atom9 PHE-atom11" order="2"/> <bond id="PHE-bond12" atomRefs="PHE-atom8 PHE-atom12" order="1"/> <formula concise="H 11 N 1 O 2 C 9"/> 165.191 C(=O)([O-])C([N+])CC1(C=CC=CC=1)

CHEBI CHEBI:27978
structure data: InChI%3D1S%2FC8H8O3%2Fc9-4-3-6-1-2-7%2810%298%2811%295-6%2Fh1-2%2C4-5%2C10-11H%2C3H2

biopax-level3ChemicalStructure143926
structure data: <cml> <molecule id="Aryl-Alcohol" title="a phenol" formalCharge="0" dictRef="dictAryl-Alcohol"> <atomArray> <atom id="Aryl-Alcohol-atom1" elementType="O" x2="1212.0" y2="0.0"/> <atom id="Aryl-Alcohol-atom2" elementType="R" x2="0.0" y2="-700.0"/> </atomArray> <bondArray> <bond id="Aryl-Alcohol-bond1" atomRefs="Aryl-Alcohol-atom1 Aryl-Alcohol-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">O[R]</string> </molecule> </cml>

CHEBI CHEBI:48828
structure data: InChI%3D1S%2FCo%2Fq%2B2

CHEBI CHEBI:61654
structure data: InChI%3D1S%2FC50H88O7S2%2Fc1-7-58-59-32-19-17-15-13-11-9-8-10-12-14-16-18-23-44%2851%2955-34-43-45%2852%2946%2853%2947%2854%2948%2857-43%2956-38-28-30-49%285%2937%2833-38%2924-25-39-41-27-26-40%2836%284%2922-20-21-35%282%293%2950%2841%2C6%2931-29-42%2839%2949%2Fh24%2C35-36%2C38-43%2C45-48%2C52-54H%2C7-23%2C25-34H2%2C1-6H3%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C43-%2C45%2B%2C46%2B%2C47-%2C48-%2C49%2B%2C50-%2Fm1%2Fs1

CHEBI CHEBI:65024
structure data: InChI%3D1S%2FC11H8N2O2S%2Fc14-9-11%2815%2C10-12-5-6-16-10%297-3-1-2-4-8%287%2913-9%2Fh1-6%2C15H%2C%28H%2C13%2C14%29

biopax-level3ChemicalStructure142982
structure data: <cml> <molecule id="Dermatan-NacGal" title="[dermatan]-N-acetyl-D-galactosamine" formalCharge="0" dictRef="dictDermatan-NacGal"> <atomArray> <atom id="Dermatan-NacGal-atom1" elementType="O" x2="1684.0" y2="1315.0"/> <atom id="Dermatan-NacGal-atom2" elementType="O" x2="1683.0" y2="1044.0"/> <atom id="Dermatan-NacGal-atom3" elementType="O" x2="1825.0" y2="1045.0"/> <atom id="Dermatan-NacGal-atom4" elementType="O" x2="1541.0" y2="1208.0"/> <atom id="Dermatan-NacGal-atom5" elementType="O" x2="1752.0" y2="1333.0"/> <atom id="Dermatan-NacGal-atom6" elementType="N" x2="1825.0" y2="1208.0"/> <atom id="Dermatan-NacGal-atom7" elementType="C" x2="1684.0" y2="1209.0"/> <atom id="Dermatan-NacGal-atom8" elementType="C" x2="1755.0" y2="1168.0"/> <atom id="Dermatan-NacGal-atom9" elementType="C" x2="1612.0" y2="1167.0"/> <atom id="Dermatan-NacGal-atom10" elementType="C" x2="1755.0" y2="1085.0"/> <atom id="Dermatan-NacGal-atom11" elementType="C" x2="1612.0" y2="1085.0"/> <atom id="Dermatan-NacGal-atom12" elementType="C" x2="1541.0" y2="1044.0"/> <atom id="Dermatan-NacGal-atom13" elementType="C" x2="1825.0" y2="1291.0"/> <atom id="Dermatan-NacGal-atom14" elementType="C" x2="1898.0" y2="1332.0"/> <atom id="Dermatan-NacGal-atom15" elementType="R2" x2="1613.0" y2="1356.0"/> <atom id="Dermatan-NacGal-atom16" elementType="R1" x2="1825.0" y2="963.0"/> <atom id="Dermatan-NacGal-atom17" elementType="O" x2="1458.0" y2="1044.0"/> </atomArray> <bondArray> <bond id="Dermatan-NacGal-bond1" atomRefs="Dermatan-NacGal-atom7 Dermatan-NacGal-atom1" order="1"/> <bond id="Dermatan-NacGal-bond2" atomRefs="Dermatan-NacGal-atom2 Dermatan-NacGal-atom10" order="1"/> <bond id="Dermatan-NacGal-bond3" atomRefs="Dermatan-NacGal-atom2 Dermatan-NacGal-atom11" order="1"/> <bond id="Dermatan-NacGal-bond4" atomRefs="Dermatan-NacGal-atom10 Dermatan-NacGal-atom3" order="1"/> <bond id="Dermatan-NacGal-bond5" atomRefs="Dermatan-NacGal-atom9 Dermatan-NacGal-atom4" order="1"/> <bond id="Dermatan-NacGal-bond6" atomRefs="Derm…

biopax-level3ChemicalStructure134132
structure data: <atom id="CPD-4186-atom1" elementType="C" x2="30625.0" y2="8937.0"/> <atom id="CPD-4186-atom2" elementType="C" x2="23480.0" y2="13062.0"/> <atom id="CPD-4186-atom3" elementType="C" x2="30625.0" y2="25438.0"/> <atom id="CPD-4186-atom4" elementType="C" x2="37769.0" y2="21313.0"/> <atom id="CPD-4186-atom5" elementType="C" x2="44913.0" y2="25438.0"/> <atom id="CPD-4186-atom6" elementType="C" x2="52058.0" y2="21313.0"/> <atom id="CPD-4186-atom7" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="CPD-4186-atom8" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="CPD-4186-atom9" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="CPD-4186-atom10" elementType="C" x2="44913.0" y2="687.0"/> <atom id="CPD-4186-atom11" elementType="C" x2="67049.0" y2="-1862.0"/> <atom id="CPD-4186-atom12" elementType="C" x2="77779.0" y2="-11299.0"/> <atom id="CPD-4186-atom13" elementType="C" x2="83227.0" y2="-5105.0"/> <atom id="CPD-4186-atom14" elementType="C" x2="104853.0" y2="-2153.0"/> <atom id="CPD-4186-atom15" elementType="C" x2="94124.0" y2="7285.0"/> <atom id="CPD-4186-atom16" elementType="C" x2="96765.0" y2="-532.0"/> <atom id="CPD-4186-atom17" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="CPD-4186-atom18" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="CPD-4186-atom19" elementType="C" x2="59203.0" y2="-7563.0"/> <atom id="CPD-4186-atom20" elementType="C" x2="91317.0" y2="-6726.0"/> <atom id="CPD-4186-atom21" elementType="C" x2="69690.0" y2="-9678.0"/> <atom id="CPD-4186-atom22" elementType="C" x2="64241.0" y2="-15873.0"/> <atom id="CPD-4186-atom23" elementType="C" x2="23480.0" y2="21313.0"/> <atom id="CPD-4186-atom24" elementType="O" x2="16336.0" y2="25438.0"/> <atom id="CPD-4186-atom25" elementType="C" x2="59203.0" y2="8937.0"/> <atom id="CPD-4186-atom26" elementType="C" x2="59203.0" y2="687.0"/> <atom id="CPD-4186-atom27" elementType="C" x2="67049.0" y2="11486.0"/> <atom id="CPD-4186-atom28" elementType="C" x2="71898.0" y2="4812.0"/> <bond id="CPD-4186-bond1" ato…

biopax-level3ChemicalStructure139379
structure data: <atom id="CPD-13852-atom1" elementType="O" x2="5318.0" y2="-3308.0"/> <atom id="CPD-13852-atom2" elementType="O" x2="7296.0" y2="-1326.0"/> <atom id="CPD-13852-atom3" elementType="O" x2="5316.0" y2="-1665.0" formalCharge="-1"/> <atom id="CPD-13852-atom4" elementType="C" x2="9988.0" y2="-4791.0"/> <atom id="CPD-13852-atom5" elementType="C" x2="6751.0" y2="-3032.0"/> <atom id="CPD-13852-atom6" elementType="N" x2="9506.0" y2="-5467.0"/> <atom id="CPD-13852-atom7" elementType="N" x2="7995.0" y2="-3961.0"/> <atom id="CPD-13852-atom8" elementType="O" x2="6140.0" y2="-2486.0"/> <atom id="CPD-13852-atom9" elementType="O" x2="8191.0" y2="-3253.0"/> <atom id="CPD-13852-atom10" elementType="O" x2="4496.0" y2="-2487.0" formalCharge="-1"/> <atom id="CPD-13852-atom11" elementType="C" x2="7284.0" y2="-4380.0"/> <atom id="CPD-13852-atom12" elementType="C" x2="7995.0" y2="-5622.0"/> <atom id="CPD-13852-atom13" elementType="C" x2="8716.0" y2="-5211.0"/> <atom id="CPD-13852-atom14" elementType="C" x2="8716.0" y2="-4380.0"/> <atom id="CPD-13852-atom15" elementType="C" x2="7532.0" y2="-2775.0"/> <atom id="CPD-13852-atom16" elementType="C" x2="7781.0" y2="-1989.0"/> <atom id="CPD-13852-atom17" elementType="C" x2="8608.0" y2="-1989.0"/> <atom id="CPD-13852-atom18" elementType="C" x2="8860.0" y2="-2775.0"/> <atom id="CPD-13852-atom19" elementType="N" x2="7284.0" y2="-5211.0"/> <atom id="CPD-13852-atom20" elementType="N" x2="9504.0" y2="-4132.0"/> <atom id="CPD-13852-atom21" elementType="P" x2="5318.0" y2="-2487.0"/> <atom id="CPD-13852-atom22" elementType="N" x2="7992.0" y2="-6447.0"/> <atom id="CPD-13852-atom23" elementType="O" x2="6569.0" y2="-3967.0"/> <bond id="CPD-13852-bond1" atomRefs="CPD-13852-atom22 CPD-13852-atom12" order="1"/> <bond id="CPD-13852-bond2" atomRefs="CPD-13852-atom1 CPD-13852-atom21" order="2"/> <bond id="CPD-13852-bond3" atomRefs="CPD-13852-atom16 CPD-13852-atom2" order="1"/> <bond id="CPD-13852-bond4" atomRefs="CPD-13852-atom3 CPD-13852-atom21" order="1"/> <bond i…

CHEBI CHEBI:30156
structure data: InChI%3D1S%2FC6H6N4%2Fc1-2-9-6-5%288-1%293-7-4-10-6%2Fh3-4H%2C1-2H2

CHEBI CHEBI:64109
structure data: InChI%3D1S%2FC32H61NO8%2Fc1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-26%2835%2925%2833-28%2836%2922-20-17-8-6-4-2%2924-40-32-31%2839%2930%2838%2929%2837%2927%2823-34%2941-32%2Fh19%2C21%2C25-27%2C29-32%2C34-35%2C37-39H%2C3-18%2C20%2C22-24H2%2C1-2H3%2C%28H%2C33%2C36%29%2Fb21-19%2B%2Ft25-%2C26%2B%2C27%2B%2C29-%2C30-%2C31%2B%2C32%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure161291
structure data: <cml> <molecule id="Hyaluronan-glucuronate-terminal" title="beta-D-glucuronosyl-[hyaluronan]" formalCharge="-1" dictRef="dictHyaluronan-glucuronate-terminal"> <atomArray> <atom id="Hyaluronan-glucuronate-terminal-atom1" elementType="O" x2="-2564.0" y2="1454.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom2" elementType="O" x2="-3998.0" y2="1454.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom3" elementType="O" x2="-3972.0" y2="4034.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom4" elementType="O" x2="-5413.0" y2="3102.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom5" elementType="O" x2="-6045.0" y2="1986.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom6" elementType="C" x2="-2563.0" y2="3104.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom7" elementType="Hyaluronan" x2="-1368.0" y2="553.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom8" elementType="C" x2="-3275.0" y2="1864.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom9" elementType="C" x2="-3275.0" y2="2690.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom10" elementType="C" x2="-3998.0" y2="3102.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom11" elementType="C" x2="-4709.0" y2="2690.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom12" elementType="C" x2="-4709.0" y2="1864.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom13" elementType="C" x2="-5413.0" y2="1454.0"/> <atom id="Hyaluronan-glucuronate-terminal-atom14" elementType="O" x2="-5824.0" y2="741.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="Hyaluronan-glucuronate-terminal-bond1" atomRefs="Hyaluronan-glucuronate-terminal-atom1 Hyaluronan-glucuronate-terminal-atom7" order="1"/> <bond id="Hyaluronan-glucuronate-terminal-bond2" atomRefs="Hyaluronan-glucuronate-terminal-atom8 Hyaluronan-glucuronate-terminal-atom1" order="1"/> <bond id="Hyaluronan-glucuronate-terminal-bond3" atomRefs="Hyaluronan-glucuronate-terminal-atom2 Hyaluronan-glucuronate-terminal-atom8" order="1"/> <bond id="Hyaluronan-glucuronate-terminal-…

biopax-level3ChemicalStructure135620
structure data: <cml> <molecule id="CPD-1109" title="an N-acyl-D-mannosamine" formalCharge="0" dictRef="dictCPD-1109"> <atomArray> <atom id="CPD-1109-atom1" elementType="O" x2="37381.0" y2="2305.0"/> <atom id="CPD-1109-atom2" elementType="N" x2="37381.0" y2="17272.0"/> <atom id="CPD-1109-atom3" elementType="O" x2="24375.0" y2="24798.0"/> <atom id="CPD-1109-atom4" elementType="O" x2="11409.0" y2="17273.0"/> <atom id="CPD-1109-atom5" elementType="O" x2="24332.0" y2="2305.0"/> <atom id="CPD-1109-atom6" elementType="O" x2="5662.0" y2="7146.0"/> <atom id="CPD-1109-atom7" elementType="C" x2="30877.0" y2="6047.0"/> <atom id="CPD-1109-atom8" elementType="C" x2="30877.0" y2="13530.0"/> <atom id="CPD-1109-atom9" elementType="C" x2="24332.0" y2="17273.0"/> <atom id="CPD-1109-atom10" elementType="C" x2="17829.0" y2="13531.0"/> <atom id="CPD-1109-atom11" elementType="C" x2="17829.0" y2="6048.0"/> <atom id="CPD-1109-atom12" elementType="C" x2="11409.0" y2="2306.0"/> <atom id="CPD-1109-atom13" elementType="C" x2="37393.0" y2="24772.0"/> <atom id="CPD-1109-atom14" elementType="R" x2="43894.0" y2="28513.0"/> <atom id="CPD-1109-atom15" elementType="O" x2="30903.0" y2="28532.0"/> </atomArray> <bondArray> <bond id="CPD-1109-bond1" atomRefs="CPD-1109-atom13 CPD-1109-atom15" order="2"/> <bond id="CPD-1109-bond2" atomRefs="CPD-1109-atom13 CPD-1109-atom14" order="1"/> <bond id="CPD-1109-bond3" atomRefs="CPD-1109-atom2 CPD-1109-atom13" order="1"/> <bond id="CPD-1109-bond4" atomRefs="CPD-1109-atom10 CPD-1109-atom4" order="1"/> <bond id="CPD-1109-bond5" atomRefs="CPD-1109-atom9 CPD-1109-atom3" order="1"/> <bond id="CPD-1109-bond6" atomRefs="CPD-1109-atom8 CPD-1109-atom2" order="1"/> <bond id="CPD-1109-bond7" atomRefs="CPD-1109-atom7 CPD-1109-atom1" order="1"/> <bond id="CPD-1109-bond8" atomRefs="CPD-1109-atom11 CPD-1109-atom12" order="1"/> <bond id="CPD-1109-bond9" atomRefs="CPD-1109-atom10 CPD-1109-atom11" order="1"/> <bond id="CPD-1109-bond10" atomRefs="CPD-1109-atom9 CPD-1109-atom10" order="1"/> <bond id=…

biopax-level3ChemicalStructure133333
structure data: <atom id="LANOSTEROL-atom1" elementType="C" x2="8851.0" y2="-3215.0"/> <atom id="LANOSTEROL-atom2" elementType="C" x2="7789.0" y2="-2259.0"/> <atom id="LANOSTEROL-atom3" elementType="C" x2="4774.0" y2="-4540.0"/> <atom id="LANOSTEROL-atom4" elementType="C" x2="2143.0" y2="0.0"/> <atom id="LANOSTEROL-atom5" elementType="C" x2="714.0" y2="0.0"/> <atom id="LANOSTEROL-atom6" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="LANOSTEROL-atom7" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="LANOSTEROL-atom8" elementType="C" x2="4287.0" y2="-3712.0"/> <atom id="LANOSTEROL-atom9" elementType="O" x2="0.0" y2="-412.0"/> <atom id="LANOSTEROL-atom10" elementType="C" x2="7492.0" y2="-3657.0"/> <atom id="LANOSTEROL-atom11" elementType="C" x2="6685.0" y2="-3486.0"/> <atom id="LANOSTEROL-atom12" elementType="C" x2="3572.0" y2="-825.0"/> <atom id="LANOSTEROL-atom13" elementType="C" x2="2858.0" y2="-2888.0"/> <atom id="LANOSTEROL-atom14" elementType="C" x2="6133.0" y2="-4098.0"/> <atom id="LANOSTEROL-atom15" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="LANOSTEROL-atom16" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="LANOSTEROL-atom17" elementType="C" x2="5556.0" y2="-2475.0"/> <atom id="LANOSTEROL-atom18" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="LANOSTEROL-atom19" elementType="C" x2="3572.0" y2="-3300.0"/> <atom id="LANOSTEROL-atom20" elementType="C" x2="5071.0" y2="-1807.0"/> <atom id="LANOSTEROL-atom21" elementType="C" x2="8044.0" y2="-3044.0"/> <atom id="LANOSTEROL-atom22" elementType="C" x2="2858.0" y2="-2062.0"/> <atom id="LANOSTEROL-atom23" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="LANOSTEROL-atom24" elementType="C" x2="5327.0" y2="-3927.0"/> <atom id="LANOSTEROL-atom25" elementType="C" x2="714.0" y2="-825.0"/> <atom id="LANOSTEROL-atom26" elementType="C" x2="5071.0" y2="-3143.0"/> <atom id="LANOSTEROL-atom27" elementType="C" x2="2143.0" y2="-825.0"/> <atom id="LANOSTEROL-atom28" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="LAN…

biopax-level3ChemicalStructure148183
structure data: <atom id="Ribonucleosides-atom1" elementType="O" x2="0.0" y2="-1216.0"/> <atom id="Ribonucleosides-atom2" elementType="O" x2="3013.0" y2="0.0"/> <atom id="Ribonucleosides-atom3" elementType="O" x2="1218.0" y2="0.0"/> <atom id="Ribonucleosides-atom4" elementType="Bases" x2="3573.0" y2="-2310.0"/> <atom id="Ribonucleosides-atom5" elementType="C" x2="663.0" y2="-1708.0"/> <atom id="Ribonucleosides-atom6" elementType="O" x2="2116.0" y2="-1938.0"/> <atom id="Ribonucleosides-atom7" elementType="C" x2="2783.0" y2="-1452.0"/> <atom id="Ribonucleosides-atom8" elementType="C" x2="2528.0" y2="-668.0"/> <atom id="Ribonucleosides-atom9" elementType="C" x2="1703.0" y2="-668.0"/> <atom id="Ribonucleosides-atom10" elementType="C" x2="1448.0" y2="-1452.0"/> <bond id="Ribonucleosides-bond1" atomRefs="Ribonucleosides-atom9 Ribonucleosides-atom10" order="1"/> <bond id="Ribonucleosides-bond2" atomRefs="Ribonucleosides-atom8 Ribonucleosides-atom9" order="1"/> <bond id="Ribonucleosides-bond3" atomRefs="Ribonucleosides-atom7 Ribonucleosides-atom8" order="1"/> <bond id="Ribonucleosides-bond4" atomRefs="Ribonucleosides-atom6 Ribonucleosides-atom10" order="1"/> <bond id="Ribonucleosides-bond5" atomRefs="Ribonucleosides-atom6 Ribonucleosides-atom7" order="1"/> <bond id="Ribonucleosides-bond6" atomRefs="Ribonucleosides-atom10 Ribonucleosides-atom5" order="1"/> <bond id="Ribonucleosides-bond7" atomRefs="Ribonucleosides-atom7 Ribonucleosides-atom4" order="1"/> <bond id="Ribonucleosides-bond8" atomRefs="Ribonucleosides-atom9 Ribonucleosides-atom3" order="1"/> <bond id="Ribonucleosides-bond9" atomRefs="Ribonucleosides-atom8 Ribonucleosides-atom2" order="1"/> <bond id="Ribonucleosides-bond10" atomRefs="Ribonucleosides-atom1 Ribonucleosides-atom5" order="1"/> <formula concise=""/> C(O)C1(OC([a nucleobase])C(O)C(O)1)

CHEBI CHEBI:48944
structure data: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1

CHEBI CHEBI:58023
structure data: InChI%3D1S%2FC9H6I2O4%2Fc10-5-1-4%282-6%2811%298%285%2913%293-7%2812%299%2814%2915%2Fh1-2%2C13H%2C3H2%2C%28H%2C14%2C15%29%2Fp-2

CHEBI CHEBI:49713
structure data: InChI%3D1S%2FLi%2Fq%2B1

CHEBI CHEBI:18234
structure data: InChI%3D1S%2FC44H82O13%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33%2846%2932%2828-26-24-22-20-18-16-14-12-10-8-6-4-2%2942%2853%2954-31-35-37%2848%2939%2850%2941%2852%2944%2856-35%2957-43-40%2851%2938%2849%2936%2847%2934%2830-45%2955-43%2Fh13%2C15%2C32-41%2C43-52H%2C3-12%2C14%2C16-31H2%2C1-2H3%2Fb15-13%2B%2Ft32%3F%2C33%3F%2C34-%2C35-%2C36-%2C37-%2C38%2B%2C39%2B%2C40-%2C41-%2C43-%2C44-%2Fm1%2Fs1

CHEBI CHEBI:30763
structure data: InChI%3D1S%2FC7H6O3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H%2C%28H%2C9%2C10%29

CHEBI CHEBI:30313
structure data: InChI%3D1S%2FC8H14O2S2%2Fc9-8%2810%294-2-1-3-7-5-6-11-12-7%2Fh7H%2C1-6H2%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:52148
structure data: InChI%3D1S%2FC15H17N%2Fc1-3-7-14%288-4-1%2911-12-16-13-15-9-5-2-6-10-15%2Fh1-10%2C16H%2C11-13H2

biopax-level3ChemicalStructure148781
structure data: <atom id="CPD-12175-atom1" elementType="C" x2="6465.0" y2="482.0"/> <atom id="CPD-12175-atom2" elementType="O" x2="-13461.0" y2="5500.0"/> <atom id="CPD-12175-atom3" elementType="O" x2="13412.0" y2="4921.0" formalCharge="-1"/> <atom id="CPD-12175-atom4" elementType="C" x2="-1014.0" y2="5211.0"/> <atom id="CPD-12175-atom5" elementType="C" x2="-1014.0" y2="13461.0"/> <atom id="CPD-12175-atom6" elementType="O" x2="6465.0" y2="-7768.0"/> <atom id="CPD-12175-atom7" elementType="C" x2="-6803.0" y2="579.0"/> <bond id="CPD-12175-bond1" atomRefs="CPD-12175-atom7 CPD-12175-atom4" order="1"/> <bond id="CPD-12175-bond2" atomRefs="CPD-12175-atom6 CPD-12175-atom1" order="2"/> <bond id="CPD-12175-bond3" atomRefs="CPD-12175-atom4 CPD-12175-atom5" order="1"/> <bond id="CPD-12175-bond4" atomRefs="CPD-12175-atom4 CPD-12175-atom1" order="1"/> <bond id="CPD-12175-bond5" atomRefs="CPD-12175-atom3 CPD-12175-atom1" order="1"/> <bond id="CPD-12175-bond6" atomRefs="CPD-12175-atom2 CPD-12175-atom7" order="1"/> <formula concise="H 7 O 3 C 4"/> 103.097 CC(C([O-])=O)CO propanoic acid, 3-hydroxy-2-methyl-

CHEBI CHEBI:18291
structure data: InChI%3D1S%2FMn

CHEBI CHEBI:16125
structure data: InChI%3D1S%2FC16H34O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2Fh17H%2C2-16H2%2C1H3

biopax-level3ChemicalStructure170464
structure data: <atom id="CPD-7712-atom1" elementType="C" x2="714.0" y2="-7026.0"/> <atom id="CPD-7712-atom2" elementType="C" x2="4810.0" y2="-3011.0"/> <atom id="CPD-7712-atom3" elementType="C" x2="2858.0" y2="-2488.0"/> <atom id="CPD-7712-atom4" elementType="C" x2="2858.0" y2="-5788.0"/> <atom id="CPD-7712-atom5" elementType="C" x2="2144.0" y2="-6201.0"/> <atom id="CPD-7712-atom6" elementType="C" x2="3803.0" y2="-4298.0"/> <atom id="CPD-7712-atom7" elementType="C" x2="2727.0" y2="-4309.0"/> <atom id="CPD-7712-atom8" elementType="C" x2="3572.0" y2="-4551.0"/> <atom id="CPD-7712-atom9" elementType="O" x2="714.0" y2="-2076.0"/> <atom id="CPD-7712-atom10" elementType="O" x2="714.0" y2="-6201.0"/> <atom id="CPD-7712-atom11" elementType="C" x2="1429.0" y2="-2488.0"/> <atom id="CPD-7712-atom12" elementType="C" x2="2858.0" y2="-3313.0"/> <atom id="CPD-7712-atom13" elementType="C" x2="1429.0" y2="-4963.0"/> <atom id="CPD-7712-atom14" elementType="C" x2="2858.0" y2="-4963.0"/> <atom id="CPD-7712-atom15" elementType="C" x2="1429.0" y2="-5788.0"/> <atom id="CPD-7712-atom16" elementType="C" x2="2144.0" y2="-4551.0"/> <atom id="CPD-7712-atom17" elementType="N" x2="4398.0" y2="-3726.0" formalCharge="1"/> <atom id="CPD-7712-atom18" elementType="C" x2="2144.0" y2="-2076.0"/> <atom id="CPD-7712-atom19" elementType="C" x2="3572.0" y2="-3726.0"/> <atom id="CPD-7712-atom20" elementType="C" x2="2144.0" y2="-3726.0"/> <atom id="CPD-7712-atom21" elementType="O" x2="777.0" y2="-4269.0"/> <atom id="CPD-7712-atom22" elementType="C" x2="1429.0" y2="-3313.0"/> <bond id="CPD-7712-bond1" atomRefs="CPD-7712-atom21 CPD-7712-atom22" order="1"/> <bond id="CPD-7712-bond2" atomRefs="CPD-7712-atom1 CPD-7712-atom10" order="1"/> <bond id="CPD-7712-bond3" atomRefs="CPD-7712-atom2 CPD-7712-atom17" order="1"/> <bond id="CPD-7712-bond4" atomRefs="CPD-7712-atom21 CPD-7712-atom13" order="1"/> <bond id="CPD-7712-bond5" atomRefs="CPD-7712-atom3 CPD-7712-atom12" order="2"/> <bond id="CPD-7712-bond6" atomRefs="CPD-7712-atom3 CPD…

biopax-level3ChemicalStructure161916
structure data: <cml> <molecule id="L-2-AMINO-ACID" title="an L-2-amino-acid" formalCharge="0" dictRef="dictL-2-AMINO-ACID"> <atomArray> <atom id="L-2-AMINO-ACID-atom1" elementType="N" x2="-327.0" y2="-703.0" formalCharge="1"/> <atom id="L-2-AMINO-ACID-atom2" elementType="O" x2="2143.0" y2="-1237.0"/> <atom id="L-2-AMINO-ACID-atom3" elementType="O" x2="1429.0" y2="0.0" formalCharge="-1"/> <atom id="L-2-AMINO-ACID-atom4" elementType="R" x2="714.0" y2="-2062.0"/> <atom id="L-2-AMINO-ACID-atom5" elementType="C" x2="1429.0" y2="-825.0"/> <atom id="L-2-AMINO-ACID-atom6" elementType="C" x2="714.0" y2="-1237.0"/> </atomArray> <bondArray> <bond id="L-2-AMINO-ACID-bond1" atomRefs="L-2-AMINO-ACID-atom5 L-2-AMINO-ACID-atom6" order="1"/> <bond id="L-2-AMINO-ACID-bond2" atomRefs="L-2-AMINO-ACID-atom6 L-2-AMINO-ACID-atom4" order="1"/> <bond id="L-2-AMINO-ACID-bond3" atomRefs="L-2-AMINO-ACID-atom3 L-2-AMINO-ACID-atom5" order="1"/> <bond id="L-2-AMINO-ACID-bond4" atomRefs="L-2-AMINO-ACID-atom2 L-2-AMINO-ACID-atom5" order="2"/> <bond id="L-2-AMINO-ACID-bond5" atomRefs="L-2-AMINO-ACID-atom1 L-2-AMINO-ACID-atom6" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([O-])C([N+])[R]</string> </molecule> </cml>

CHEBI CHEBI:15862
structure data: InChI%3D1S%2FC2H7N%2Fc1-2-3%2Fh2-3H2%2C1H3

CHEBI CHEBI:17935
structure data: InChI%3D1S%2FC8H16O%2Fc1-2-3-4-5-6-7-8-9%2Fh8H%2C2-7H2%2C1H3

CHEBI CHEBI:59732
structure data: InChI%3D1S%2FC7H17NO5%2Fc1-8-2-4%2810%296%2812%297%2813%295%2811%293-9%2Fh4-13H%2C2-3H2%2C1H3%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure139450
structure data: <atom id="CPD0-1905-atom1" elementType="N" x2="4784.0" y2="-2998.0"/> <atom id="CPD0-1905-atom2" elementType="O" x2="6205.0" y2="-5466.0"/> <atom id="CPD0-1905-atom3" elementType="O" x2="823.0" y2="-1981.0"/> <atom id="CPD0-1905-atom4" elementType="O" x2="4109.0" y2="-1980.0"/> <atom id="CPD0-1905-atom5" elementType="O" x2="2467.0" y2="-1980.0"/> <atom id="CPD0-1905-atom6" elementType="O" x2="6085.0" y2="0.0"/> <atom id="CPD0-1905-atom7" elementType="O" x2="0.0" y2="-1154.0" formalCharge="-1"/> <atom id="CPD0-1905-atom8" elementType="O" x2="823.0" y2="-331.0" formalCharge="-1"/> <atom id="CPD0-1905-atom9" elementType="O" x2="4107.0" y2="-338.0" formalCharge="-1"/> <atom id="CPD0-1905-atom10" elementType="O" x2="2467.0" y2="-338.0" formalCharge="-1"/> <atom id="CPD0-1905-atom11" elementType="C" x2="8198.0" y2="-3816.0"/> <atom id="CPD0-1905-atom12" elementType="C" x2="5542.0" y2="-1704.0"/> <atom id="CPD0-1905-atom13" elementType="C" x2="7395.0" y2="-662.0"/> <atom id="CPD0-1905-atom14" elementType="N" x2="7717.0" y2="-4490.0"/> <atom id="CPD0-1905-atom15" elementType="N" x2="6208.0" y2="-2986.0"/> <atom id="CPD0-1905-atom16" elementType="O" x2="4929.0" y2="-1158.0"/> <atom id="CPD0-1905-atom17" elementType="O" x2="6980.0" y2="-1925.0"/> <atom id="CPD0-1905-atom18" elementType="O" x2="1648.0" y2="-1156.0"/> <atom id="CPD0-1905-atom19" elementType="O" x2="3288.0" y2="-1159.0"/> <atom id="CPD0-1905-atom20" elementType="C" x2="5497.0" y2="-3405.0"/> <atom id="CPD0-1905-atom21" elementType="C" x2="6208.0" y2="-4645.0"/> <atom id="CPD0-1905-atom22" elementType="C" x2="6928.0" y2="-4235.0"/> <atom id="CPD0-1905-atom23" elementType="C" x2="6928.0" y2="-3405.0"/> <atom id="CPD0-1905-atom24" elementType="C" x2="6570.0" y2="-662.0"/> <atom id="CPD0-1905-atom25" elementType="C" x2="6321.0" y2="-1448.0"/> <atom id="CPD0-1905-atom26" elementType="C" x2="7648.0" y2="-1448.0"/> <atom id="CPD0-1905-atom27" elementType="N" x2="5497.0" y2="-4235.0"/> <atom id="CPD0-1905-atom28" elemen…

biopax-level3ChemicalStructure160298
structure data: <atom id="CPD-11673-atom1" elementType="C" x2="-6777.0" y2="-2063.0"/> <atom id="CPD-11673-atom2" elementType="C" x2="-13921.0" y2="2062.0"/> <atom id="CPD-11673-atom3" elementType="C" x2="-13921.0" y2="10313.0"/> <atom id="CPD-11673-atom4" elementType="C" x2="-6777.0" y2="14438.0"/> <atom id="CPD-11673-atom5" elementType="C" x2="8214.0" y2="-487.0"/> <atom id="CPD-11673-atom6" elementType="C" x2="368.0" y2="2062.0"/> <atom id="CPD-11673-atom7" elementType="C" x2="368.0" y2="10313.0"/> <atom id="CPD-11673-atom8" elementType="N" x2="8214.0" y2="12861.0"/> <atom id="CPD-11673-atom9" elementType="C" x2="13063.0" y2="6187.0"/> <atom id="CPD-11673-atom10" elementType="C" x2="10763.0" y2="-8333.0"/> <atom id="CPD-11673-atom11" elementType="C" x2="18833.0" y2="-10049.0"/> <atom id="CPD-11673-atom12" elementType="O" x2="21383.0" y2="-17895.0"/> <atom id="CPD-11673-atom13" elementType="C" x2="-40624.0" y2="-5014.0"/> <atom id="CPD-11673-atom14" elementType="C" x2="-44709.0" y2="2153.0"/> <atom id="CPD-11673-atom15" elementType="C" x2="-40545.0" y2="9275.0"/> <atom id="CPD-11673-atom16" elementType="C" x2="-32295.0" y2="9229.0"/> <atom id="CPD-11673-atom17" elementType="C" x2="-28210.0" y2="2062.0"/> <atom id="CPD-11673-atom18" elementType="O" x2="-32374.0" y2="-5060.0"/> <atom id="CPD-11673-atom19" elementType="O" x2="-32070.0" y2="17476.0"/> <atom id="CPD-11673-atom20" elementType="O" x2="-40347.0" y2="17523.0"/> <atom id="CPD-11673-atom21" elementType="O" x2="-45756.0" y2="10336.0"/> <atom id="CPD-11673-atom22" elementType="C" x2="-40952.0" y2="-13258.0"/> <atom id="CPD-11673-atom23" elementType="O" x2="-33977.0" y2="-17664.0"/> <atom id="CPD-11673-atom24" elementType="O" x2="-48255.0" y2="-17095.0"/> <atom id="CPD-11673-atom25" elementType="O" x2="-21066.0" y2="-2063.0"/> <bond id="CPD-11673-bond1" atomRefs="CPD-11673-atom1 CPD-11673-atom2" order="2"/> <bond id="CPD-11673-bond2" atomRefs="CPD-11673-atom2 CPD-11673-atom3" order="1"/> <bond id="CPD-11673-bond3" atomRefs="CP…

CHEBI CHEBI:27949
structure data: InChI%3D1S%2FC11H12O4%2Fc1-14-9-6-8%284-3-5-12%297-10%2815-2%2911%289%2913%2Fh3-7%2C13H%2C1-2H3%2Fb4-3%2B

CHEBI CHEBI:63893
structure data: InChI%3D1S%2FC15H24O%2Fc1-12-6-5-7-13%282%2914%2816%299-11-15%283%2C4%2910-8-12%2Fh7-9%2C11%2C14%2C16H%2C5-6%2C10H2%2C1-4H3%2Fb11-9%2B%2C12-8%2B%2C13-7%2B

biopax-level3ChemicalStructure139476
structure data: <atom id="MI-HEXAKISPHOSPHATE-atom1" elementType="C" x2="6492.0" y2="3891.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom2" elementType="C" x2="6492.0" y2="3066.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom3" elementType="C" x2="5777.0" y2="2654.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom4" elementType="C" x2="5090.0" y2="3066.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom5" elementType="C" x2="5090.0" y2="3891.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom6" elementType="C" x2="5777.0" y2="4304.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom7" elementType="P" x2="6492.0" y2="1416.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom8" elementType="P" x2="7922.0" y2="3066.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom9" elementType="P" x2="7207.0" y2="5129.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom10" elementType="P" x2="5090.0" y2="5514.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom11" elementType="P" x2="3660.0" y2="3891.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom12" elementType="P" x2="4375.0" y2="1829.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom13" elementType="O" x2="7207.0" y2="2654.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom14" elementType="O" x2="5777.0" y2="5101.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom15" elementType="O" x2="5777.0" y2="1856.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom16" elementType="O" x2="4375.0" y2="4304.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom17" elementType="O" x2="7207.0" y2="4304.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom18" elementType="O" x2="4375.0" y2="2654.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom19" elementType="O" x2="4072.0" y2="3176.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom20" elementType="O" x2="7510.0" y2="3781.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom21" elementType="O" x2="4677.0" y2="4799.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom22" elementType="O" x2="5200.0" y2="1829.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom23" elementType="O" x2="6382.0" y2="5129.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom24" elementType="O" x2="6932.0" y2="2131.0"/> <atom id="MI-HEXAKISPHOSPHATE-atom25" elementType="O" x2="4375.0" y2="5926.0" formalCharg…

CHEBI CHEBI:127342
structure data: InChI%3D1S%2FC17H21NO%2Fc1-14-8-6-7-11-16%2814%2919-17%2812-13-18-2%2915-9-4-3-5-10-15%2Fh3-11%2C17-18H%2C12-13H2%2C1-2H3%2Ft17-%2Fm1%2Fs1

CHEBI CHEBI:5141
structure data: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)

biopax-level3ChemicalStructure174348
structure data: <atom id="CPD-4443-atom1" elementType="C" x2="-26981.0" y2="6191.0"/> <atom id="CPD-4443-atom2" elementType="C" x2="-18736.0" y2="6482.0"/> <atom id="CPD-4443-atom3" elementType="C" x2="-15912.0" y2="-1269.0"/> <atom id="CPD-4443-atom4" elementType="O" x2="-30065.0" y2="-15447.0"/> <atom id="CPD-4443-atom5" elementType="P" x2="-35871.0" y2="-21308.0"/> <atom id="CPD-4443-atom6" elementType="O" x2="-30010.0" y2="-27114.0" formalCharge="-1"/> <atom id="CPD-4443-atom7" elementType="O" x2="-41676.0" y2="-27170.0"/> <atom id="CPD-4443-atom8" elementType="O" x2="-41731.0" y2="-15502.0" formalCharge="-1"/> <atom id="CPD-4443-atom9" elementType="O" x2="-32063.0" y2="12690.0"/> <atom id="CPD-4443-atom10" elementType="O" x2="-14126.0" y2="13324.0"/> <atom id="CPD-4443-atom11" elementType="C" x2="-1919.0" y2="-27522.0"/> <atom id="CPD-4443-atom12" elementType="C" x2="-16097.0" y2="-29303.0"/> <atom id="CPD-4443-atom13" elementType="C" x2="-10550.0" y2="-16135.0"/> <atom id="CPD-4443-atom14" elementType="C" x2="-2947.0" y2="-19336.0"/> <atom id="CPD-4443-atom15" elementType="C" x2="-1823.0" y2="-6035.0"/> <atom id="CPD-4443-atom16" elementType="N" x2="-9855.0" y2="-7914.0"/> <atom id="CPD-4443-atom17" elementType="N" x2="2447.0" y2="-13094.0"/> <atom id="CPD-4443-atom18" elementType="N" x2="-17125.0" y2="-21118.0"/> <atom id="CPD-4443-atom19" elementType="N" x2="-8494.0" y2="-32506.0"/> <atom id="CPD-4443-atom20" elementType="N" x2="5685.0" y2="-30724.0"/> <atom id="CPD-4443-atom21" elementType="C" x2="12942.0" y2="-26802.0"/> <atom id="CPD-4443-atom22" elementType="C" x2="19968.0" y2="-31127.0"/> <atom id="CPD-4443-atom23" elementType="C" x2="27226.0" y2="-27205.0"/> <atom id="CPD-4443-atom24" elementType="C" x2="34251.0" y2="-31529.0"/> <atom id="CPD-4443-atom25" elementType="O" x2="-22411.0" y2="-6350.0"/> <atom id="CPD-4443-atom26" elementType="C" x2="-29252.0" y2="-1740.0"/> <atom id="CPD-4443-atom27" elementType="C" x2="-33377.0" y2="-8885.0"/> <atom id="CPD-4443-atom28" …

CHEBI CHEBI:18248
structure data: InChI%3D1S%2FFe

biopax-level3ChemicalStructure134111
structure data: <atom id="CPD-4505-atom1" elementType="N" x2="5937.0" y2="-3300.0" formalCharge="1"/> <atom id="CPD-4505-atom2" elementType="C" x2="5222.0" y2="-3713.0"/> <atom id="CPD-4505-atom3" elementType="C" x2="6652.0" y2="-3713.0"/> <atom id="CPD-4505-atom4" elementType="C" x2="5937.0" y2="-2475.0"/> <atom id="CPD-4505-atom5" elementType="C" x2="5222.0" y2="-4538.0"/> <atom id="CPD-4505-atom6" elementType="C" x2="6652.0" y2="-4538.0"/> <atom id="CPD-4505-atom7" elementType="C" x2="5222.0" y2="-2062.0"/> <atom id="CPD-4505-atom8" elementType="O" x2="5937.0" y2="-4950.0"/> <atom id="CPD-4505-atom9" elementType="C" x2="4508.0" y2="-4950.0"/> <atom id="CPD-4505-atom10" elementType="C" x2="7366.0" y2="-4950.0"/> <atom id="CPD-4505-atom11" elementType="C" x2="5222.0" y2="-1238.0"/> <atom id="CPD-4505-atom12" elementType="C" x2="4508.0" y2="-825.0"/> <atom id="CPD-4505-atom13" elementType="C" x2="4508.0" y2="0.0"/> <atom id="CPD-4505-atom14" elementType="C" x2="3794.0" y2="412.0"/> <atom id="CPD-4505-atom15" elementType="C" x2="3794.0" y2="1238.0"/> <atom id="CPD-4505-atom16" elementType="C" x2="3079.0" y2="1650.0"/> <atom id="CPD-4505-atom17" elementType="C" x2="3079.0" y2="2475.0"/> <atom id="CPD-4505-atom18" elementType="C" x2="2364.0" y2="2888.0"/> <atom id="CPD-4505-atom19" elementType="C" x2="2364.0" y2="3713.0"/> <atom id="CPD-4505-atom20" elementType="C" x2="1650.0" y2="4125.0"/> <atom id="CPD-4505-atom21" elementType="C" x2="1650.0" y2="4950.0"/> <bond id="CPD-4505-bond1" atomRefs="CPD-4505-atom6 CPD-4505-atom8" order="1"/> <bond id="CPD-4505-bond2" atomRefs="CPD-4505-atom20 CPD-4505-atom21" order="1"/> <bond id="CPD-4505-bond3" atomRefs="CPD-4505-atom19 CPD-4505-atom20" order="1"/> <bond id="CPD-4505-bond4" atomRefs="CPD-4505-atom18 CPD-4505-atom19" order="1"/> <bond id="CPD-4505-bond5" atomRefs="CPD-4505-atom17 CPD-4505-atom18" order="1"/> <bond id="CPD-4505-bond6" atomRefs="CPD-4505-atom16 CPD-4505-atom17" order="1"/> <bond id="CPD-4505-bond7" atomRefs="CPD-4505-atom15 …

biopax-level3ChemicalStructure151224
structure data: <cml> <molecule id="CDPDIACYLGLYCEROL" title="a CDP-diacylglycerol" formalCharge="-2" dictRef="dictCDPDIACYLGLYCEROL"> <atomArray> <atom id="CDPDIACYLGLYCEROL-atom1" elementType="N" x2="102917.0" y2="-52968.0"/> <atom id="CDPDIACYLGLYCEROL-atom2" elementType="O" x2="88646.0" y2="-28068.0"/> <atom id="CDPDIACYLGLYCEROL-atom3" elementType="O" x2="43454.0" y2="-25055.0"/> <atom id="CDPDIACYLGLYCEROL-atom4" elementType="O" x2="59943.0" y2="-25055.0"/> <atom id="CDPDIACYLGLYCEROL-atom5" elementType="O" x2="81985.0" y2="0.0"/> <atom id="CDPDIACYLGLYCEROL-atom6" elementType="O" x2="100064.0" y2="0.0"/> <atom id="CDPDIACYLGLYCEROL-atom7" elementType="O" x2="43454.0" y2="-8719.0" formalCharge="-1"/> <atom id="CDPDIACYLGLYCEROL-atom8" elementType="O" x2="59943.0" y2="-8565.0" formalCharge="-1"/> <atom id="CDPDIACYLGLYCEROL-atom9" elementType="C" x2="110212.0" y2="-40441.0"/> <atom id="CDPDIACYLGLYCEROL-atom10" elementType="C" x2="110212.0" y2="-32035.0"/> <atom id="CDPDIACYLGLYCEROL-atom11" elementType="C" x2="76278.0" y2="-16810.0"/> <atom id="CDPDIACYLGLYCEROL-atom12" elementType="N" x2="95627.0" y2="-40441.0"/> <atom id="CDPDIACYLGLYCEROL-atom13" elementType="O" x2="68188.0" y2="-16810.0"/> <atom id="CDPDIACYLGLYCEROL-atom14" elementType="O" x2="90870.0" y2="-19348.0"/> <atom id="CDPDIACYLGLYCEROL-atom15" elementType="O" x2="51699.0" y2="-16810.0"/> <atom id="CDPDIACYLGLYCEROL-atom16" elementType="C" x2="102917.0" y2="-44718.0"/> <atom id="CDPDIACYLGLYCEROL-atom17" elementType="C" x2="95627.0" y2="-32350.0"/> <atom id="CDPDIACYLGLYCEROL-atom18" elementType="C" x2="86742.0" y2="-6501.0"/> <atom id="CDPDIACYLGLYCEROL-atom19" elementType="C" x2="95147.0" y2="-6501.0"/> <atom id="CDPDIACYLGLYCEROL-atom20" elementType="C" x2="84363.0" y2="-14591.0"/> <atom id="CDPDIACYLGLYCEROL-atom21" elementType="C" x2="97525.0" y2="-14271.0"/> <atom id="CDPDIACYLGLYCEROL-atom22" elementType="N" x2="102917.0" y2="-28068.0"/> <atom id="CDPDIACYLGLYCEROL-atom23" elementType="P" x2="43454.0" y2=…

biopax-level3ChemicalStructure170478
structure data: <cml> <molecule id="PROCOLLAGEN-3-HYDROXY-L-PROLINE" title="procollagen-3-hydroxy-L-proline" formalCharge="0" dictRef="dictPROCOLLAGEN-3-HYDROXY-L-PROLINE"> <atomArray> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom1" elementType="H" x2="2932.0" y2="-1725.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom2" elementType="O" x2="4870.0" y2="-1883.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom3" elementType="O" x2="2906.0" y2="0.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom4" elementType="R" x2="4090.0" y2="-4254.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom5" elementType="R" x2="1186.0" y2="-4661.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom6" elementType="C" x2="475.0" y2="-987.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom7" elementType="C" x2="0.0" y2="-2407.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom8" elementType="C" x2="3761.0" y2="-2834.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom9" elementType="C" x2="1914.0" y2="-987.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom10" elementType="N" x2="1195.0" y2="-3261.0"/> <atom id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom11" elementType="C" x2="2371.0" y2="-2401.0"/> </atomArray> <bondArray> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond1" atomRefs="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom10 PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom11" order="1"/> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond2" atomRefs="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom9 PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom11" order="1"/> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond3" atomRefs="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom8 PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom11" order="1"/> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond4" atomRefs="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom7 PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom10" order="1"/> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond5" atomRefs="PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom6 PROCOLLAGEN-3-HYDROXY-L-PROLINE-atom9" order="1"/> <bond id="PROCOLLAGEN-3-HYDROXY-L-PROLINE-bond6" atomRefs…

CHEBI CHEBI:63577
structure data: InChI%3D1S%2FC8H11N3O3S%2Fc9-5-1-2-11%288%2813%2910-5%296-4-15-7%283-12%2914-6%2Fh1-2%2C6-7%2C12H%2C3-4H2%2C%28H2%2C9%2C10%2C13%29%2Ft6-%2C7%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure173955
structure data: <atom id="CPD-2748-atom1" elementType="C" x2="1586.0" y2="-14027.0"/> <atom id="CPD-2748-atom2" elementType="C" x2="0.0" y2="-5520.0"/> <atom id="CPD-2748-atom3" elementType="C" x2="9561.0" y2="-16139.0"/> <atom id="CPD-2748-atom4" elementType="C" x2="13977.0" y2="-2549.0"/> <atom id="CPD-2748-atom5" elementType="C" x2="34336.0" y2="-21014.0"/> <atom id="CPD-2748-atom6" elementType="C" x2="36886.0" y2="-13167.0"/> <atom id="CPD-2748-atom7" elementType="C" x2="26087.0" y2="-21014.0"/> <atom id="CPD-2748-atom8" elementType="N" x2="6131.0" y2="0.0"/> <atom id="CPD-2748-atom9" elementType="C" x2="15691.0" y2="-10619.0"/> <atom id="CPD-2748-atom10" elementType="N" x2="30212.0" y2="-8319.0" formalCharge="1"/> <atom id="CPD-2748-atom11" elementType="C" x2="23538.0" y2="-13167.0"/> <bond id="CPD-2748-bond1" atomRefs="CPD-2748-atom11 CPD-2748-atom10" order="1"/> <bond id="CPD-2748-bond2" atomRefs="CPD-2748-atom9 CPD-2748-atom11" order="1"/> <bond id="CPD-2748-bond3" atomRefs="CPD-2748-atom7 CPD-2748-atom11" order="1"/> <bond id="CPD-2748-bond4" atomRefs="CPD-2748-atom6 CPD-2748-atom10" order="1"/> <bond id="CPD-2748-bond5" atomRefs="CPD-2748-atom5 CPD-2748-atom7" order="1"/> <bond id="CPD-2748-bond6" atomRefs="CPD-2748-atom5 CPD-2748-atom6" order="1"/> <bond id="CPD-2748-bond7" atomRefs="CPD-2748-atom9 CPD-2748-atom4" order="2"/> <bond id="CPD-2748-bond8" atomRefs="CPD-2748-atom4 CPD-2748-atom8" order="1"/> <bond id="CPD-2748-bond9" atomRefs="CPD-2748-atom3 CPD-2748-atom9" order="1"/> <bond id="CPD-2748-bond10" atomRefs="CPD-2748-atom8 CPD-2748-atom2" order="2"/> <bond id="CPD-2748-bond11" atomRefs="CPD-2748-atom1 CPD-2748-atom3" order="2"/> <bond id="CPD-2748-bond12" atomRefs="CPD-2748-atom2 CPD-2748-atom1" order="1"/> <formula concise="H 13 N 2 C 9"/> 149.215 C1(N=CC=CC=1C2(CCC[N+]2))

CHEBI CHEBI:61042
structure data: InChI%3D1S%2FC33H64NO9P%2Fc1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32%2836%2940-29-31%2830-42-44%2838%2C39%2941-28-26-34%282%2C3%294%2943-33%2837%2925-22-19-16-17-20-23-27-35%2Fh27%2C31H%2C5-26%2C28-30H2%2C1-4H3%2Ft31-%2Fm1%2Fs1

biopax-level3ChemicalStructure149498
structure data: <cml> <molecule id="Dietary-retinyl-esters" title="a dietary all-trans-retinyl ester" formalCharge="0"> <atomArray> <atom id="Dietary-retinyl-esters-atom1" elementType="C" x2="-126490.0" y2="87080.0"/> <atom id="Dietary-retinyl-esters-atom2" elementType="C" x2="-126490.0" y2="170510.0"/> <atom id="Dietary-retinyl-esters-atom3" elementType="C" x2="-55040.0" y2="212670.0"/> <atom id="Dietary-retinyl-esters-atom4" elementType="C" x2="17310.0" y2="170510.0"/> <atom id="Dietary-retinyl-esters-atom5" elementType="C" x2="17310.0" y2="87080.0"/> <atom id="Dietary-retinyl-esters-atom6" elementType="C" x2="-55040.0" y2="45840.0"/> <atom id="Dietary-retinyl-esters-atom7" elementType="C" x2="88840.0" y2="211610.0"/> <atom id="Dietary-retinyl-esters-atom8" elementType="C" x2="-730.0" y2="-20610.0"/> <atom id="Dietary-retinyl-esters-atom9" elementType="C" x2="-96590.0" y2="-25430.0"/> <atom id="Dietary-retinyl-esters-atom10" elementType="C" x2="88650.0" y2="45640.0"/> <atom id="Dietary-retinyl-esters-atom11" elementType="C" x2="160210.0" y2="86700.0"/> <atom id="Dietary-retinyl-esters-atom12" elementType="C" x2="231540.0" y2="45250.0"/> <atom id="Dietary-retinyl-esters-atom13" elementType="C" x2="303100.0" y2="86300.0"/> <atom id="Dietary-retinyl-esters-atom14" elementType="C" x2="374430.0" y2="44860.0"/> <atom id="Dietary-retinyl-esters-atom15" elementType="C" x2="445980.0" y2="85910.0"/> <atom id="Dietary-retinyl-esters-atom16" elementType="C" x2="517320.0" y2="44460.0"/> <atom id="Dietary-retinyl-esters-atom17" elementType="C" x2="231310.0" y2="-37240.0"/> <atom id="Dietary-retinyl-esters-atom18" elementType="C" x2="517100.0" y2="-38040.0"/> <atom id="Dietary-retinyl-esters-atom19" elementType="C" x2="588870.0" y2="85510.0"/> <atom id="Dietary-retinyl-esters-atom20" elementType="C" x2="660200.0" y2="44060.0"/> <atom id="Dietary-retinyl-esters-atom21" elementType="O" x2="731770.0" y2="85130.0"/> <atom id="Dietary-retinyl-esters-atom22" elementType="C" x2="803100.0" y2="43680.0"…

CHEBI CHEBI:42548
structure data: InChI%3D1S%2FC6H12O5%2Fc1-2-3%287%294%288%295%289%296%2810%2911-2%2Fh2-10H%2C1H3%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:16946
structure data: InChI%3D1S%2FC10H12N2O3%2Fc11-7-4-2-1-3-6%287%299%2813%295-8%2812%2910%2814%2915%2Fh1-4%2C8H%2C5%2C11-12H2%2C%28H%2C14%2C15%29%2Ft8-%2Fm0%2Fs1

CHEBI CHEBI:52373
structure data: InChI%3D1S%2FC42H85NO5%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40%2846%2942%2848%2943-38%2837-44%2941%2847%2939%2845%2935-33-31-29-27-25-16-14-12-10-8-6-4-2%2Fh38-41%2C44-47H%2C3-37H2%2C1-2H3%2C%28H%2C43%2C48%29%2Ft38-%2C39%2B%2C40%3F%2C41-%2Fm0%2Fs1

CHEBI CHEBI:62413
structure data: InChI%3D1S%2FC4H6O3%2Fc1-3%282-5%294%286%297%2Fh2-3H%2C1H3%2C%28H%2C6%2C7%29%2Fp-1%2Ft3-%2Fm0%2Fs1

biopax-level3ChemicalStructure158782
structure data: 3)-beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-R" formalCharge="0" dictRef="dictALPHA-N-ACETYLNEURAMINYL-ETCETERA"> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom1" elementType="C" x2="10955.0" y2="-559.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom2" elementType="C" x2="10703.0" y2="-10871.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom3" elementType="O" x2="8523.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom4" elementType="O" x2="9417.0" y2="-13078.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom5" elementType="O" x2="4611.0" y2="-2152.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom6" elementType="O" x2="12939.0" y2="-4304.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom7" elementType="O" x2="0.0" y2="-7825.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom8" elementType="O" x2="2236.0" y2="-12939.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom9" elementType="O" x2="3353.0" y2="-4192.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom10" elementType="O" x2="10536.0" y2="-2823.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom11" elementType="O" x2="7014.0" y2="-754.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom12" elementType="O" x2="9446.0" y2="-6484.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom13" elementType="O" x2="1901.0" y2="-5505.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom14" elementType="O" x2="3438.0" y2="-10871.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom15" elementType="O" x2="6595.0" y2="-6763.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom16" elementType="R" x2="8244.0" y2="-15063.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom17" elementType="C" x2="11710.0" y2="-4975.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom18" elementType="C" x2="1258.0" y2="-8440.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom19" elementType="C" x2="3438.0" y2="-13666.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-atom20" elementType="C" x2="5841.0"…

biopax-level3ChemicalStructure144480
structure data: <atom id="CPD-9007-atom1" elementType="O" x2="496330.0" y2="172590.0"/> <atom id="CPD-9007-atom2" elementType="C" x2="447450.0" y2="106250.0"/> <atom id="CPD-9007-atom3" elementType="N" x2="312130.0" y2="-212670.0"/> <atom id="CPD-9007-atom4" elementType="C" x2="312130.0" y2="-130170.0"/> <atom id="CPD-9007-atom5" elementType="N" x2="383580.0" y2="-88910.0"/> <atom id="CPD-9007-atom6" elementType="C" x2="383580.0" y2="-253920.0"/> <atom id="CPD-9007-atom7" elementType="N" x2="533460.0" y2="-237680.0"/> <atom id="CPD-9007-atom8" elementType="C" x2="455020.0" y2="-212670.0"/> <atom id="CPD-9007-atom9" elementType="C" x2="454680.0" y2="-130280.0"/> <atom id="CPD-9007-atom10" elementType="N" x2="533010.0" y2="-104620.0"/> <atom id="CPD-9007-atom11" elementType="C" x2="581490.0" y2="-171260.0"/> <atom id="CPD-9007-atom12" elementType="N" x2="382710.0" y2="-336420.0"/> <atom id="CPD-9007-atom13" elementType="C" x2="-235590.0" y2="101300.0"/> <atom id="CPD-9007-atom14" elementType="C" x2="-210090.0" y2="22840.0"/> <atom id="CPD-9007-atom15" elementType="O" x2="-276840.0" y2="-25660.0"/> <atom id="CPD-9007-atom16" elementType="C" x2="-343580.0" y2="22840.0"/> <atom id="CPD-9007-atom17" elementType="C" x2="-318090.0" y2="101300.0"/> <atom id="CPD-9007-atom18" elementType="C" x2="-131090.0" y2="910.0"/> <atom id="CPD-9007-atom19" elementType="O" x2="-415260.0" y2="-18790.0"/> <atom id="CPD-9007-atom20" elementType="O" x2="-360260.0" y2="172340.0"/> <atom id="CPD-9007-atom21" elementType="O" x2="-214970.0" y2="180590.0"/> <atom id="CPD-9007-atom22" elementType="O" x2="-110000.0" y2="-78840.0"/> <atom id="CPD-9007-atom23" elementType="P" x2="-27500.0" y2="-78840.0"/> <atom id="CPD-9007-atom24" elementType="O" x2="-27960.0" y2="3660.0"/> <atom id="CPD-9007-atom25" elementType="O" x2="-27960.0" y2="-161340.0" formalCharge="-1"/> <atom id="CPD-9007-atom26" elementType="O" x2="55000.0" y2="-78840.0"/> <atom id="CPD-9007-atom27" elementType="P" x2="137500.0" y2="-78840.0"/> <atom id…

CHEBI CHEBI:17992
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-4-6%2816%298%2818%299%2819%2911%2821-4%2923-12%283-15%2910%2820%297%2817%295%282-14%2922-12%2Fh4-11%2C13-20H%2C1-3H2%2Ft4-%2C5-%2C6-%2C7-%2C8%2B%2C9-%2C10%2B%2C11-%2C12%2B%2Fm1%2Fs1

CHEBI CHEBI:42106
structure data: InChI%3D1S%2FC4H10O2S2%2Fc5-3%281-7%294%286%292-8%2Fh3-8H%2C1-2H2%2Ft3-%2C4-%2Fm0%2Fs1

biopax-level3ChemicalStructure126340
structure data: <atom id="VAL-atom1" elementType="C" x2="-714.0" y2="-1587.0"/> <atom id="VAL-atom2" elementType="C" x2="772.0" y2="-799.0"/> <atom id="VAL-atom3" elementType="C" x2="-721.0" y2="-817.0"/> <atom id="VAL-atom4" elementType="N" x2="0.0" y2="371.0" formalCharge="1"/> <atom id="VAL-atom5" elementType="C" x2="0.0" y2="-510.0"/> <atom id="VAL-atom6" elementType="C" x2="-1493.0" y2="-417.0"/> <atom id="VAL-atom7" elementType="O" x2="769.0" y2="-1639.0"/> <atom id="VAL-atom8" elementType="O" x2="1558.0" y2="-453.0" formalCharge="-1"/> <bond id="VAL-bond1" atomRefs="VAL-atom1 VAL-atom3" order="1"/> <bond id="VAL-bond2" atomRefs="VAL-atom2 VAL-atom5" order="1"/> <bond id="VAL-bond3" atomRefs="VAL-atom3 VAL-atom5" order="1"/> <bond id="VAL-bond4" atomRefs="VAL-atom5 VAL-atom4" order="1"/> <bond id="VAL-bond5" atomRefs="VAL-atom6 VAL-atom3" order="1"/> <bond id="VAL-bond6" atomRefs="VAL-atom7 VAL-atom2" order="2"/> <bond id="VAL-bond7" atomRefs="VAL-atom8 VAL-atom2" order="1"/> <formula concise="H 11 O 2 N 1 C 5"/> 117.147 CC(C)C([N+])C([O-])=O

CHEBI CHEBI:16066
structure data: InChI%3D1S%2FC20H28O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C15H%2C7%2C10%2C14H2%2C1-5H3%2Fb9-6-%2C12-11%2B%2C16-8%2B%2C17-13%2B

biopax-level3ChemicalStructure174400
structure data: <atom id="CPD-12377-atom1" elementType="O" x2="-999.0" y2="-407.0"/> <formula concise="H 2 O 1"/> 18.015 O

CHEBI CHEBI:61553
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-2-6%2810%295%289%294%288%293%2815-6%291-14-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft3-%2C4-%2C5%2B%2C6%3F%2Fm1%2Fs1

CHEBI CHEBI:3441
structure data: InChI%3D1S%2FC24H26N2O4%2Fc1-28-21-10-4-5-11-22%2821%2929-14-13-25-15-17%2827%2916-30-23-12-6-9-20-24%2823%2918-7-2-3-8-19%2818%2926-20%2Fh2-12%2C17%2C25-27H%2C13-16H2%2C1H3

CHEBI CHEBI:17263
structure data: InChI%3D1S%2FC18H22O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-16%2C19H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15-%2C16%2B%2C18%2B%2Fm1%2Fs1

CHEBI CHEBI:63620
structure data: InChI%3D1S%2FC12H13N%2Fc1-2-9-13-12-8-7-10-5-3-4-6-11%2810%2912%2Fh1%2C3-6%2C12-13H%2C7-9H2%2Ft12-%2Fm1%2Fs1

CHEBI CHEBI:16495
structure data: InChI%3D1S%2FC28H46O%2Fc1-18%282%298-7-9-19%283%2922-12-13-24-21-10-11-23-20%284%2926%2829%2915-17-28%2823%2C6%2925%2821%2914-16-27%2822%2C24%295%2Fh10%2C18-20%2C22-25H%2C7-9%2C11-17H2%2C1-6H3%2Ft19-%2C20%2B%2C22-%2C23%2B%2C24%2B%2C25%2B%2C27-%2C28%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure160851
structure data: <cml> <molecule id="2-2-HYDROXYACYLSPHINGOSINE" title="a 2-(2-hydroxyacyl)sphingosine" formalCharge="0" dictRef="dict2-2-HYDROXYACYLSPHINGOSINE"> <atomArray> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom1" elementType="C" x2="0.0" y2="-4.2e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom2" elementType="O" x2="1.69742e+8" y2="-2.8e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom3" elementType="O" x2="2.1823901e+8" y2="-4.2002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom4" elementType="O" x2="1.9399299e+8" y2="-2000.0"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom5" elementType="O" x2="1.81866e+8" y2="-6.3002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom6" elementType="R" x2="1.69744e+8" y2="0.0"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom7" elementType="C" x2="1.57616e+8" y2="-4.9002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom8" elementType="C" x2="1.69742e+8" y2="-4.2002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom9" elementType="C" x2="1.2124e+7" y2="-4.9e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom10" elementType="C" x2="2.06114e+8" y2="-4.9002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom11" elementType="C" x2="1.45492e+8" y2="-4.2002e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom12" elementType="C" x2="2.4248e+7" y2="-4.2e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom13" elementType="C" x2="1.33368e+8" y2="-4.9001e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom14" elementType="C" x2="3.6373e+7" y2="-4.9e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom15" elementType="C" x2="1.21243e+8" y2="-4.2001e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom16" elementType="C" x2="4.8497e+7" y2="-4.2e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom17" elementType="C" x2="1.09119e+8" y2="-4.9001e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom18" elementType="C" x2="6.0621e+7" y2="-4.9e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom19" elementType="C" x2="9.6995e+7" y2="-4.2001e+7"/> <atom id="2-2-HYDROXYACYLSPHINGOSINE-atom20" elementType="C" x2="7.2746e+7" y2="-4.200…

biopax-level3ChemicalStructure132717
structure data: <atom id="PALMITYL-COA-atom1" elementType="S" x2="79374.0" y2="56470.0"/> <atom id="PALMITYL-COA-atom2" elementType="C" x2="86518.0" y2="52344.0"/> <atom id="PALMITYL-COA-atom3" elementType="C" x2="93663.0" y2="56469.0"/> <atom id="PALMITYL-COA-atom4" elementType="O" x2="86517.0" y2="44095.0"/> <atom id="PALMITYL-COA-atom5" elementType="C" x2="100808.0" y2="52343.0"/> <atom id="PALMITYL-COA-atom6" elementType="C" x2="100807.0" y2="44094.0"/> <atom id="PALMITYL-COA-atom7" elementType="C" x2="107951.0" y2="39968.0"/> <atom id="PALMITYL-COA-atom8" elementType="C" x2="107950.0" y2="31718.0"/> <atom id="PALMITYL-COA-atom9" elementType="C" x2="115094.0" y2="27593.0"/> <atom id="PALMITYL-COA-atom10" elementType="C" x2="115093.0" y2="19344.0"/> <atom id="PALMITYL-COA-atom11" elementType="C" x2="107948.0" y2="15219.0"/> <atom id="PALMITYL-COA-atom12" elementType="C" x2="107947.0" y2="6969.0"/> <atom id="PALMITYL-COA-atom13" elementType="C" x2="100803.0" y2="2846.0"/> <atom id="PALMITYL-COA-atom14" elementType="C" x2="93657.0" y2="6971.0"/> <atom id="PALMITYL-COA-atom15" elementType="C" x2="86512.0" y2="2847.0"/> <atom id="PALMITYL-COA-atom16" elementType="C" x2="79369.0" y2="6973.0"/> <atom id="PALMITYL-COA-atom17" elementType="C" x2="72223.0" y2="2849.0"/> <atom id="PALMITYL-COA-atom18" elementType="C" x2="65079.0" y2="6974.0"/> <atom id="PALMITYL-COA-atom19" elementType="C" x2="26826.0" y2="104203.0"/> <atom id="PALMITYL-COA-atom20" elementType="O" x2="-5211.0" y2="85243.0" formalCharge="-1"/> <atom id="PALMITYL-COA-atom21" elementType="O" x2="29319.0" y2="118690.0"/> <atom id="PALMITYL-COA-atom22" elementType="O" x2="8391.0" y2="70298.0" formalCharge="-1"/> <atom id="PALMITYL-COA-atom23" elementType="N" x2="34637.0" y2="101549.0"/> <atom id="PALMITYL-COA-atom24" elementType="N" x2="42348.0" y2="114500.0"/> <atom id="PALMITYL-COA-atom25" elementType="O" x2="-2055.0" y2="96749.0"/> <atom id="PALMITYL-COA-atom26" elementType="N" x2="45331.0" y2="93558.0"/> <atom id="PALMITYL…

biopax-level3ChemicalStructure173854
structure data: <atom id="CPD-3185-atom1" elementType="C" x2="3069.0" y2="-1333.0"/> <atom id="CPD-3185-atom2" elementType="O" x2="4270.0" y2="-2667.0"/> <atom id="CPD-3185-atom3" elementType="O" x2="714.0" y2="0.0"/> <atom id="CPD-3185-atom4" elementType="C" x2="0.0" y2="-2063.0"/> <atom id="CPD-3185-atom5" elementType="C" x2="714.0" y2="-2476.0"/> <atom id="CPD-3185-atom6" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3185-atom7" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3185-atom8" elementType="C" x2="3037.0" y2="-3467.0"/> <atom id="CPD-3185-atom9" elementType="C" x2="2230.0" y2="-3296.0"/> <atom id="CPD-3185-atom10" elementType="C" x2="3450.0" y2="-2753.0"/> <atom id="CPD-3185-atom11" elementType="C" x2="1429.0" y2="-2063.0"/> <atom id="CPD-3185-atom12" elementType="N" x2="2898.0" y2="-2140.0"/> <atom id="CPD-3185-atom13" elementType="N" x2="714.0" y2="-825.0"/> <atom id="CPD-3185-atom14" elementType="C" x2="2144.0" y2="-2476.0"/> <bond id="CPD-3185-bond1" atomRefs="CPD-3185-atom12 CPD-3185-atom14" order="1"/> <bond id="CPD-3185-bond2" atomRefs="CPD-3185-atom14 CPD-3185-atom11" order="1"/> <bond id="CPD-3185-bond3" atomRefs="CPD-3185-atom10 CPD-3185-atom12" order="1"/> <bond id="CPD-3185-bond4" atomRefs="CPD-3185-atom9 CPD-3185-atom14" order="1"/> <bond id="CPD-3185-bond5" atomRefs="CPD-3185-atom8 CPD-3185-atom10" order="1"/> <bond id="CPD-3185-bond6" atomRefs="CPD-3185-atom8 CPD-3185-atom9" order="1"/> <bond id="CPD-3185-bond7" atomRefs="CPD-3185-atom7 CPD-3185-atom13" order="2"/> <bond id="CPD-3185-bond8" atomRefs="CPD-3185-atom11 CPD-3185-atom7" order="1"/> <bond id="CPD-3185-bond9" atomRefs="CPD-3185-atom13 CPD-3185-atom6" order="1"/> <bond id="CPD-3185-bond10" atomRefs="CPD-3185-atom5 CPD-3185-atom11" order="2"/> <bond id="CPD-3185-bond11" atomRefs="CPD-3185-atom6 CPD-3185-atom4" order="2"/> <bond id="CPD-3185-bond12" atomRefs="CPD-3185-atom4 CPD-3185-atom5" order="1"/> <bond id="CPD-3185-bond13" atomRefs="CPD-3185-atom3 CPD-3185-atom13" order="2"/>…

CHEBI CHEBI:52961
structure data: InChI%3D1S%2FC42H85NO3%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42%2846%2943-40%2839-44%2941%2845%2937-35-33-31-29-27-25-16-14-12-10-8-6-4-2%2Fh40-41%2C44-45H%2C3-39H2%2C1-2H3%2C%28H%2C43%2C46%29%2Ft40-%2C41%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure158428
structure data: <cml> <molecule id="S-Substituted-Glutathione" title="a glutathione-toxin conjugate" formalCharge="0" dictRef="dictS-Substituted-Glutathione"> <atomArray> <atom id="S-Substituted-Glutathione-atom1" elementType="N" x2="4190.0" y2="-270890.0"/> <atom id="S-Substituted-Glutathione-atom2" elementType="O" x2="1000070.0" y2="-2130.0"/> <atom id="S-Substituted-Glutathione-atom3" elementType="O" x2="0.0" y2="-2130.0"/> <atom id="S-Substituted-Glutathione-atom4" elementType="O" x2="502100.0" y2="-408400.0"/> <atom id="S-Substituted-Glutathione-atom5" elementType="O" x2="881310.0" y2="-68750.0"/> <atom id="S-Substituted-Glutathione-atom6" elementType="O" x2="1248020.0" y2="0.0"/> <atom id="S-Substituted-Glutathione-atom7" elementType="O" x2="247950.0" y2="-2130.0"/> <atom id="S-Substituted-Glutathione-atom8" elementType="R" x2="668900.0" y2="-636060.0"/> <atom id="S-Substituted-Glutathione-atom9" elementType="C" x2="377090.0" y2="-206260.0"/> <atom id="S-Substituted-Glutathione-atom10" elementType="C" x2="1125080.0" y2="-206260.0"/> <atom id="S-Substituted-Glutathione-atom11" elementType="C" x2="245830.0" y2="-272960.0"/> <atom id="S-Substituted-Glutathione-atom12" elementType="C" x2="752110.0" y2="-410470.0"/> <atom id="S-Substituted-Glutathione-atom13" elementType="N" x2="1002130.0" y2="-272960.0"/> <atom id="S-Substituted-Glutathione-atom14" elementType="N" x2="633360.0" y2="-206260.0"/> <atom id="S-Substituted-Glutathione-atom15" elementType="S" x2="645860.0" y2="-497970.0"/> <atom id="S-Substituted-Glutathione-atom16" elementType="C" x2="1125080.0" y2="-58380.0"/> <atom id="S-Substituted-Glutathione-atom17" elementType="C" x2="122950.0" y2="-58380.0"/> <atom id="S-Substituted-Glutathione-atom18" elementType="C" x2="502100.0" y2="-272960.0"/> <atom id="S-Substituted-Glutathione-atom19" elementType="C" x2="881310.0" y2="-206260.0"/> <atom id="S-Substituted-Glutathione-atom20" elementType="C" x2="122950.0" y2="-206260.0"/> <atom id="S-Substituted-Glutathione-atom21" element…

CHEBI CHEBI:1387
structure data: InChI%3D1S%2FC8H10O4%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8-12H%2C4H2

CHEBI CHEBI:16510
structure data: InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)/p-1

biopax-level3ChemicalStructure151980
structure data: <atom id="LIPOYL-AMP-atom1" elementType="O" x2="53175.0" y2="-33082.0"/> <atom id="LIPOYL-AMP-atom2" elementType="O" x2="72958.0" y2="-13259.0"/> <atom id="LIPOYL-AMP-atom3" elementType="O" x2="53155.0" y2="-16651.0" formalCharge="-1"/> <atom id="LIPOYL-AMP-atom4" elementType="C" x2="99876.0" y2="-47912.0"/> <atom id="LIPOYL-AMP-atom5" elementType="C" x2="67514.0" y2="-30320.0"/> <atom id="LIPOYL-AMP-atom6" elementType="N" x2="95063.0" y2="-54666.0"/> <atom id="LIPOYL-AMP-atom7" elementType="N" x2="79953.0" y2="-39606.0"/> <atom id="LIPOYL-AMP-atom8" elementType="O" x2="61400.0" y2="-24856.0"/> <atom id="LIPOYL-AMP-atom9" elementType="O" x2="81914.0" y2="-32531.0"/> <atom id="LIPOYL-AMP-atom10" elementType="O" x2="44960.0" y2="-24866.0"/> <atom id="LIPOYL-AMP-atom11" elementType="C" x2="72838.0" y2="-43799.0"/> <atom id="LIPOYL-AMP-atom12" elementType="C" x2="79953.0" y2="-56217.0"/> <atom id="LIPOYL-AMP-atom13" elementType="C" x2="87157.0" y2="-52114.0"/> <atom id="LIPOYL-AMP-atom14" elementType="C" x2="87157.0" y2="-43799.0"/> <atom id="LIPOYL-AMP-atom15" elementType="C" x2="75320.0" y2="-27748.0"/> <atom id="LIPOYL-AMP-atom16" elementType="C" x2="77811.0" y2="-19893.0"/> <atom id="LIPOYL-AMP-atom17" elementType="C" x2="86077.0" y2="-19893.0"/> <atom id="LIPOYL-AMP-atom18" elementType="C" x2="88598.0" y2="-27748.0"/> <atom id="LIPOYL-AMP-atom19" elementType="N" x2="72838.0" y2="-52114.0"/> <atom id="LIPOYL-AMP-atom20" elementType="N" x2="95043.0" y2="-41317.0"/> <atom id="LIPOYL-AMP-atom21" elementType="P" x2="53175.0" y2="-24866.0"/> <atom id="LIPOYL-AMP-atom22" elementType="N" x2="79923.0" y2="-64472.0"/> <atom id="LIPOYL-AMP-atom23" elementType="O" x2="90930.0" y2="-13209.0"/> <atom id="LIPOYL-AMP-atom24" elementType="C" x2="37815.0" y2="-28991.0"/> <atom id="LIPOYL-AMP-atom25" elementType="C" x2="30670.0" y2="-24866.0"/> <atom id="LIPOYL-AMP-atom26" elementType="C" x2="23525.0" y2="-28991.0"/> <atom id="LIPOYL-AMP-atom27" elementType="C" x2="16381.0" y2="-2486…

biopax-level3ChemicalStructure166246
structure data: <atom id="CPD-7659-atom1" elementType="C" x2="-5313.0" y2="-6688.0"/> <atom id="CPD-7659-atom2" elementType="C" x2="-12457.0" y2="-2563.0"/> <atom id="CPD-7659-atom3" elementType="C" x2="-12457.0" y2="5688.0"/> <atom id="CPD-7659-atom4" elementType="C" x2="-5313.0" y2="9813.0"/> <atom id="CPD-7659-atom5" elementType="C" x2="1832.0" y2="5688.0"/> <atom id="CPD-7659-atom6" elementType="C" x2="1832.0" y2="-2563.0"/> <atom id="CPD-7659-atom7" elementType="C" x2="-5313.0" y2="-14938.0"/> <atom id="CPD-7659-atom8" elementType="C" x2="1832.0" y2="-19062.0"/> <atom id="CPD-7659-atom9" elementType="C" x2="8878.0" y2="-14771.0"/> <atom id="CPD-7659-atom10" elementType="N" x2="1929.0" y2="-27311.0" formalCharge="1"/> <bond id="CPD-7659-bond1" atomRefs="CPD-7659-atom10 CPD-7659-atom8" order="1"/> <bond id="CPD-7659-bond2" atomRefs="CPD-7659-atom8 CPD-7659-atom9" order="1"/> <bond id="CPD-7659-bond3" atomRefs="CPD-7659-atom7 CPD-7659-atom8" order="1"/> <bond id="CPD-7659-bond4" atomRefs="CPD-7659-atom1 CPD-7659-atom7" order="1"/> <bond id="CPD-7659-bond5" atomRefs="CPD-7659-atom6 CPD-7659-atom5" order="1"/> <bond id="CPD-7659-bond6" atomRefs="CPD-7659-atom5 CPD-7659-atom4" order="2"/> <bond id="CPD-7659-bond7" atomRefs="CPD-7659-atom4 CPD-7659-atom3" order="1"/> <bond id="CPD-7659-bond8" atomRefs="CPD-7659-atom3 CPD-7659-atom2" order="2"/> <bond id="CPD-7659-bond9" atomRefs="CPD-7659-atom1 CPD-7659-atom6" order="2"/> <bond id="CPD-7659-bond10" atomRefs="CPD-7659-atom2 CPD-7659-atom1" order="1"/> <formula concise="H 14 N 1 C 9"/> 136.216 CC(CC1(C=CC=CC=1))[N+]

biopax-level3ChemicalStructure134331
structure data: <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom1" elementType="O" x2="-4124.0" y2="-11415.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom2" elementType="C" x2="-8249.0" y2="-4270.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom3" elementType="C" x2="-4124.0" y2="2874.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom4" elementType="C" x2="-8249.0" y2="10019.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom5" elementType="C" x2="-4124.0" y2="17163.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom6" elementType="C" x2="-8249.0" y2="24308.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom7" elementType="S" x2="-4124.0" y2="31452.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom8" elementType="O" x2="-16499.0" y2="10019.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom9" elementType="O" x2="4126.0" y2="2874.0" formalCharge="-1"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom10" elementType="C" x2="4126.0" y2="31452.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom11" elementType="P" x2="-4124.0" y2="-19665.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom12" elementType="O" x2="-4124.0" y2="-27915.0" formalCharge="-1"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom13" elementType="O" x2="4126.0" y2="-19665.0"/> <atom id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom14" elementType="O" x2="-12374.0" y2="-19665.0" formalCharge="-1"/> <bond id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-bond1" atomRefs="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom1 2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom2" order="1"/> <bond id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-bond2" atomRefs="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom2 2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom3" order="2"/> <bond id="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-bond3" atomRefs="2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom3 2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP-atom4…

CHEBI CHEBI:36476
structure data: InChI%3D1S%2FC21H41O7P%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21%2823%2927-18-20%2822%2919-28-29%2824%2C25%2926%2Fh2-19H2%2C1H3%2C%28H2%2C24%2C25%2C26%29

CHEBI CHEBI:62150
structure data: InChI%3D1S%2FC9H12O3%2Fc1-11-8-4-3-7%286-10%295-9%288%2912-2%2Fh3-5%2C10H%2C6H2%2C1-2H3

biopax-level3ChemicalStructure144809
structure data: <cml> <molecule id="2-Prime-Ribonucleoside-Monophosphates" title="a nucleoside 2'-phosphate" formalCharge="-2" dictRef="dict2-Prime-Ribonucleoside-Monophosphates"> <atomArray> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom1" elementType="O" x2="33400.0" y2="0.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom2" elementType="O" x2="0.0" y2="-33308.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom3" elementType="O" x2="7262.0" y2="-8169.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom4" elementType="O" x2="33416.0" y2="-16499.0" formalCharge="-1"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom5" elementType="O" x2="41709.0" y2="-8295.0" formalCharge="-1"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom6" elementType="R" x2="30756.0" y2="-25238.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom7" elementType="C" x2="1715.0" y2="-25238.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom8" elementType="O" x2="16236.0" y2="-27538.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom9" elementType="O" x2="25210.0" y2="-8169.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom10" elementType="C" x2="12111.0" y2="-14843.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom11" elementType="C" x2="22910.0" y2="-22689.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom12" elementType="C" x2="9562.0" y2="-22689.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom13" elementType="C" x2="20361.0" y2="-14843.0"/> <atom id="2-Prime-Ribonucleoside-Monophosphates-atom14" elementType="P" x2="33459.0" y2="-8250.0"/> </atomArray> <bondArray> <bond id="2-Prime-Ribonucleoside-Monophosphates-bond1" atomRefs="2-Prime-Ribonucleoside-Monophosphates-atom11 2-Prime-Ribonucleoside-Monophosphates-atom13" order="1"/> <bond id="2-Prime-Ribonucleoside-Monophosphates-bond2" atomRefs="2-Prime-Ribonucleoside-Monophosphates-atom10 2-Prime-Ribonucleoside-Monophosphates-atom13" order="1"/> <bond id="2-Prime-Ribonucleoside-Monop…

CHEBI CHEBI:46966
structure data: InChI%3D1S%2FC18H37NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18%2821%2917%2819%2916-20%2Fh17%2C20H%2C2-16%2C19H2%2C1H3

CHEBI CHEBI:15901
structure data: InChI%3D1S%2FC4H6N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H2%2C%28H2%2C5%2C6%2C7%2C8%29

biopax-level3ChemicalStructure158919
structure data: <cml> <molecule id="GLYCANO-26-ETCETERA-GLYCOPROTEIN" title="glycano-(2,6-alpha-N-acetylneuraminyl)-(N-acetyl-D-galactosaminyl)-glycoprotein" formalCharge="0"> <atomArray> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom1" elementType="O" x2="-11786.0" y2="-27402.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom2" elementType="C" x2="-18930.0" y2="-23277.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom3" elementType="C" x2="-18930.0" y2="-15027.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom4" elementType="C" x2="-11786.0" y2="-10902.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom5" elementType="C" x2="-4641.0" y2="-15027.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom6" elementType="C" x2="-4641.0" y2="-23277.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom7" elementType="O" x2="-25634.0" y2="-5893.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom8" elementType="C" x2="-32779.0" y2="-1768.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom9" elementType="C" x2="-32779.0" y2="6482.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom10" elementType="C" x2="-25634.0" y2="10607.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom11" elementType="C" x2="-18489.0" y2="6482.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom12" elementType="C" x2="-18489.0" y2="-1768.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom13" elementType="O" x2="-11345.0" y2="-4420.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom14" elementType="O" x2="2504.0" y2="-27402.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom15" elementType="O" x2="2504.0" y2="-10902.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom16" elementType="R" x2="10754.0" y2="-27402.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom17" elementType="C" x2="-26075.0" y2="-27402.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom18" elementType="O" x2="-33220.0" y2="-23277.0"/> <atom id="GLYCANO-26-ETCETERA-GLYCOPROTEIN-atom19" elementType="O" x2="-26075.0" y2="-10902.0"/> <atom id="…

biopax-level3ChemicalStructure162157
structure data: <atom id="N1-ACETYLSPERMINE-atom1" elementType="N" x2="2569.0" y2="-5035.0" formalCharge="1"/> <atom id="N1-ACETYLSPERMINE-atom2" elementType="C" x2="4005.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom3" elementType="C" x2="414.0" y2="-5441.0"/> <atom id="N1-ACETYLSPERMINE-atom4" elementType="C" x2="1835.0" y2="-5441.0"/> <atom id="N1-ACETYLSPERMINE-atom5" elementType="C" x2="-3209.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom6" elementType="N" x2="-1038.0" y2="-5441.0" formalCharge="1"/> <atom id="N1-ACETYLSPERMINE-atom7" elementType="C" x2="-320.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom8" elementType="C" x2="1117.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom9" elementType="O" x2="-4692.0" y2="-4317.0"/> <atom id="N1-ACETYLSPERMINE-atom10" elementType="N" x2="-3911.0" y2="-5457.0"/> <atom id="N1-ACETYLSPERMINE-atom11" elementType="C" x2="-2475.0" y2="-5457.0"/> <atom id="N1-ACETYLSPERMINE-atom12" elementType="C" x2="-5457.0" y2="-5457.0"/> <atom id="N1-ACETYLSPERMINE-atom13" elementType="C" x2="-1772.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom14" elementType="N" x2="5441.0" y2="-5035.0" formalCharge="1"/> <atom id="N1-ACETYLSPERMINE-atom15" elementType="C" x2="-4692.0" y2="-5035.0"/> <atom id="N1-ACETYLSPERMINE-atom16" elementType="C" x2="3303.0" y2="-5441.0"/> <atom id="N1-ACETYLSPERMINE-atom17" elementType="C" x2="4723.0" y2="-5441.0"/> <bond id="N1-ACETYLSPERMINE-bond1" atomRefs="N1-ACETYLSPERMINE-atom17 N1-ACETYLSPERMINE-atom2" order="1"/> <bond id="N1-ACETYLSPERMINE-bond2" atomRefs="N1-ACETYLSPERMINE-atom16 N1-ACETYLSPERMINE-atom1" order="1"/> <bond id="N1-ACETYLSPERMINE-bond3" atomRefs="N1-ACETYLSPERMINE-atom15 N1-ACETYLSPERMINE-atom12" order="1"/> <bond id="N1-ACETYLSPERMINE-bond4" atomRefs="N1-ACETYLSPERMINE-atom15 N1-ACETYLSPERMINE-atom10" order="1"/> <bond id="N1-ACETYLSPERMINE-bond5" atomRefs="N1-ACETYLSPERMINE-atom15 N1-ACETYLSPERMINE-atom9" order="2"/> <bond id="N1-ACETYLSPERMINE-bond6" atomRefs="N1-ACETYLSPERMINE-atom14 N…

CHEBI CHEBI:27510
structure data: InChI%3D1S%2FC9H6O3%2Fc10-7-3-1-6-2-4-9%2811%2912-8%286%295-7%2Fh1-5%2C10H

CHEBI CHEBI:53164
structure data: InChI%3D1S%2FC15H18O2%2Fc1-13%287-5-9-15%283%2912-17%296-4-8-14%282%2910-11-16%2Fh4-12H%2C1-3H3%2Fb7-5%2B%2C8-4%2B%2C13-6%2B%2C14-10%2B%2C15-9%2B

CHEBI CHEBI:17596
structure data: InChI%3D1S%2FC10H12N4O5%2Fc15-1-4-6%2816%297%2817%2910%2819-4%2914-3-13-5-8%2814%2911-2-12-9%285%2918%2Fh2-4%2C6-7%2C10%2C15-17H%2C1H2%2C%28H%2C11%2C12%2C18%29%2Ft4-%2C6-%2C7-%2C10-%2Fm1%2Fs1

biopax-level3ChemicalStructure131538
structure data: <atom id="CPD1G-277-atom1" elementType="S" x2="20928.0" y2="-6188.0"/> <atom id="CPD1G-277-atom2" elementType="O" x2="28073.0" y2="6188.0"/> <atom id="CPD1G-277-atom3" elementType="C" x2="106664.0" y2="-6188.0"/> <atom id="CPD1G-277-atom4" elementType="C" x2="99519.0" y2="-2063.0"/> <atom id="CPD1G-277-atom5" elementType="C" x2="113808.0" y2="-2063.0"/> <atom id="CPD1G-277-atom6" elementType="C" x2="92374.0" y2="-6188.0"/> <atom id="CPD1G-277-atom7" elementType="C" x2="120952.0" y2="-6188.0"/> <atom id="CPD1G-277-atom8" elementType="C" x2="85229.0" y2="-2063.0"/> <atom id="CPD1G-277-atom9" elementType="C" x2="128097.0" y2="-2063.0"/> <atom id="CPD1G-277-atom10" elementType="C" x2="78086.0" y2="-6188.0"/> <atom id="CPD1G-277-atom11" elementType="C" x2="135242.0" y2="-6188.0"/> <atom id="CPD1G-277-atom12" elementType="C" x2="70941.0" y2="-2063.0"/> <atom id="CPD1G-277-atom13" elementType="C" x2="142387.0" y2="-2063.0"/> <atom id="CPD1G-277-atom14" elementType="C" x2="63796.0" y2="-6188.0"/> <atom id="CPD1G-277-atom15" elementType="C" x2="149530.0" y2="-6188.0"/> <atom id="CPD1G-277-atom16" elementType="C" x2="56651.0" y2="-2063.0"/> <atom id="CPD1G-277-atom17" elementType="C" x2="156675.0" y2="-2063.0"/> <atom id="CPD1G-277-atom18" elementType="C" x2="49506.0" y2="-6188.0"/> <atom id="CPD1G-277-atom19" elementType="C" x2="163819.0" y2="-6188.0"/> <atom id="CPD1G-277-atom20" elementType="C" x2="42364.0" y2="-2063.0"/> <atom id="CPD1G-277-atom21" elementType="C" x2="170965.0" y2="-2063.0"/> <atom id="CPD1G-277-atom22" elementType="C" x2="35219.0" y2="-6188.0"/> <atom id="CPD1G-277-atom23" elementType="C" x2="178108.0" y2="-6188.0"/> <atom id="CPD1G-277-atom24" elementType="C" x2="28073.0" y2="-2063.0"/> <atom id="CPD1G-277-atom25" elementType="C" x2="-31618.0" y2="41543.0"/> <atom id="CPD1G-277-atom26" elementType="O" x2="-63654.0" y2="22584.0" formalCharge="-1"/> <atom id="CPD1G-277-atom27" elementType="O" x2="-29125.0" y2="56029.0"/> <atom id="CPD1G-277-atom28" elemen…

CHEBI CHEBI:61657
structure data: InChI%3D1S%2FC24H46O7S2%2Fc1-3-32-33-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20%2825%2930-18-19-21%2826%2922%2827%2923%2828%2924%2829-2%2931-19%2Fh19%2C21-24%2C26-28H%2C3-18H2%2C1-2H3%2Ft19-%2C21%2B%2C22%2B%2C23-%2C24-%2Fm1%2Fs1

biopax-level3ChemicalStructure157873
structure data: <atom id="CPD-10712-atom1" elementType="O" x2="578289.0" y2="47350.0"/> <atom id="CPD-10712-atom2" elementType="C" x2="571139.0" y2="43230.0"/> <atom id="CPD-10712-atom3" elementType="C" x2="435389.0" y2="-51660.0"/> <atom id="CPD-10712-atom4" elementType="C" x2="435389.0" y2="-43410.0"/> <atom id="CPD-10712-atom5" elementType="C" x2="428239.0" y2="-39280.0"/> <atom id="CPD-10712-atom6" elementType="C" x2="421099.0" y2="-43410.0"/> <atom id="CPD-10712-atom7" elementType="C" x2="421099.0" y2="-51660.0"/> <atom id="CPD-10712-atom8" elementType="C" x2="413949.0" y2="-64030.0"/> <atom id="CPD-10712-atom9" elementType="C" x2="413949.0" y2="-55780.0"/> <atom id="CPD-10712-atom10" elementType="C" x2="406809.0" y2="-51660.0"/> <atom id="CPD-10712-atom11" elementType="C" x2="399659.0" y2="-55780.0"/> <atom id="CPD-10712-atom12" elementType="C" x2="399659.0" y2="-64030.0"/> <atom id="CPD-10712-atom13" elementType="C" x2="392519.0" y2="-76410.0"/> <atom id="CPD-10712-atom14" elementType="C" x2="392519.0" y2="-68160.0"/> <atom id="CPD-10712-atom15" elementType="C" x2="385369.0" y2="-64030.0"/> <atom id="CPD-10712-atom16" elementType="C" x2="356790.0" y2="-80530.0"/> <atom id="CPD-10712-atom17" elementType="C" x2="356790.0" y2="-88780.0"/> <atom id="CPD-10712-atom18" elementType="C" x2="349650.0" y2="-101160.0"/> <atom id="CPD-10712-atom19" elementType="C" x2="349650.0" y2="-92910.0"/> <atom id="CPD-10712-atom20" elementType="C" x2="342500.0" y2="-88780.0"/> <atom id="CPD-10712-atom21" elementType="C" x2="313920.0" y2="-113530.0"/> <atom id="CPD-10712-atom22" elementType="C" x2="306780.0" y2="-125900.0"/> <atom id="CPD-10712-atom23" elementType="C" x2="306780.0" y2="-117650.0"/> <atom id="CPD-10712-atom24" elementType="C" x2="299630.0" y2="-113530.0"/> <atom id="CPD-10712-atom25" elementType="C" x2="292480.0" y2="-117650.0"/> <atom id="CPD-10712-atom26" elementType="C" x2="285340.0" y2="-113530.0"/> <atom id="CPD-10712-atom27" elementType="C" x2="278200.0" y2="-117650.0"/> <atom…

CHEBI CHEBI:16796
structure data: InChI%3D1S%2FC13H16N2O2%2Fc1-9%2816%2914-6-5-10-8-15-13-4-3-11%2817-2%297-12%2810%2913%2Fh3-4%2C7-8%2C15H%2C5-6H2%2C1-2H3%2C%28H%2C14%2C16%29

biopax-level3ChemicalStructure143329
structure data: <cml> <molecule id="Peptidoglycans" title="a peptidoglycan" formalCharge="-2"> <atomArray> <atom id="Peptidoglycans-atom1" elementType="C" x2="-5980.0" y2="-15375.0"/> <atom id="Peptidoglycans-atom2" elementType="O" x2="-5980.0" y2="-23625.0"/> <atom id="Peptidoglycans-atom3" elementType="C" x2="-13125.0" y2="-3000.0"/> <atom id="Peptidoglycans-atom4" elementType="C" x2="-13125.0" y2="-11250.0"/> <atom id="Peptidoglycans-atom5" elementType="N" x2="1164.0" y2="-11250.0"/> <atom id="Peptidoglycans-atom6" elementType="C" x2="1419.0" y2="5248.0"/> <atom id="Peptidoglycans-atom7" elementType="C" x2="8499.0" y2="1013.0"/> <atom id="Peptidoglycans-atom8" elementType="C" x2="8372.0" y2="-7236.0"/> <atom id="Peptidoglycans-atom9" elementType="C" x2="15452.0" y2="-11471.0"/> <atom id="Peptidoglycans-atom10" elementType="O" x2="15325.0" y2="-19720.0"/> <atom id="Peptidoglycans-atom11" elementType="C" x2="1546.0" y2="13497.0"/> <atom id="Peptidoglycans-atom12" elementType="O" x2="8754.0" y2="17511.0"/> <atom id="Peptidoglycans-atom13" elementType="O" x2="-5534.0" y2="17732.0"/> <atom id="Peptidoglycans-atom14" elementType="N" x2="22760.0" y2="-7217.0"/> <atom id="Peptidoglycans-atom15" elementType="R" x2="29573.0" y2="5344.0"/> <atom id="Peptidoglycans-atom16" elementType="C" x2="29793.0" y2="-2904.0"/> <atom id="Peptidoglycans-atom17" elementType="C" x2="37045.0" y2="-6837.0"/> <atom id="Peptidoglycans-atom18" elementType="O" x2="37744.0" y2="-14145.0"/> <atom id="Peptidoglycans-atom19" elementType="N" x2="44077.0" y2="-2523.0"/> <atom id="Peptidoglycans-atom20" elementType="C" x2="58367.0" y2="-2523.0"/> <atom id="Peptidoglycans-atom21" elementType="O" x2="58367.0" y2="-10773.0"/> <atom id="Peptidoglycans-atom22" elementType="C" x2="51222.0" y2="9852.0"/> <atom id="Peptidoglycans-atom23" elementType="C" x2="51222.0" y2="1602.0"/> <atom id="Peptidoglycans-atom24" elementType="N" x2="65511.0" y2="1602.0"/> <atom id="Peptidoglycans-atom25" elementType="C" x2="79801.0" y2="1602.0…

biopax-level3ChemicalStructure142510
structure data: <cml> <molecule id="Chondroitin-sulfates" title="chondroitin sulfate" formalCharge="-2" dictRef="dictChondroitin-sulfates"> <atomArray> <atom id="Chondroitin-sulfates-atom1" elementType="O" x2="-22568.0" y2="-50827.0"/> <atom id="Chondroitin-sulfates-atom2" elementType="C" x2="-29713.0" y2="-46702.0"/> <atom id="Chondroitin-sulfates-atom3" elementType="C" x2="-29713.0" y2="-38452.0"/> <atom id="Chondroitin-sulfates-atom4" elementType="C" x2="-22568.0" y2="-34327.0"/> <atom id="Chondroitin-sulfates-atom5" elementType="C" x2="-15424.0" y2="-38452.0"/> <atom id="Chondroitin-sulfates-atom6" elementType="C" x2="-15424.0" y2="-46702.0"/> <atom id="Chondroitin-sulfates-atom7" elementType="O" x2="-22568.0" y2="-22820.0"/> <atom id="Chondroitin-sulfates-atom8" elementType="C" x2="-31892.0" y2="-13845.0"/> <atom id="Chondroitin-sulfates-atom9" elementType="O" x2="-39036.0" y2="-17970.0"/> <atom id="Chondroitin-sulfates-atom10" elementType="C" x2="-46181.0" y2="-13845.0"/> <atom id="Chondroitin-sulfates-atom11" elementType="C" x2="-46181.0" y2="-5595.0"/> <atom id="Chondroitin-sulfates-atom12" elementType="C" x2="-39036.0" y2="-1470.0"/> <atom id="Chondroitin-sulfates-atom13" elementType="C" x2="-31892.0" y2="-5595.0"/> <atom id="Chondroitin-sulfates-atom14" elementType="O" x2="-8279.0" y2="-50827.0"/> <atom id="Chondroitin-sulfates-atom15" elementType="N" x2="-8279.0" y2="-34327.0"/> <atom id="Chondroitin-sulfates-atom16" elementType="O" x2="-24747.0" y2="-1470.0"/> <atom id="Chondroitin-sulfates-atom17" elementType="O" x2="-53326.0" y2="-1470.0"/> <atom id="Chondroitin-sulfates-atom18" elementType="C" x2="-53326.0" y2="-17970.0"/> <atom id="Chondroitin-sulfates-atom19" elementType="O" x2="-39036.0" y2="6780.0"/> <atom id="Chondroitin-sulfates-atom20" elementType="O" x2="-36858.0" y2="-34327.0"/> <atom id="Chondroitin-sulfates-atom21" elementType="C" x2="-36858.0" y2="-50827.0"/> <atom id="Chondroitin-sulfates-atom22" elementType="O" x2="-36858.0" y2="-59077.0"/> <atom id="Ch…

CHEBI CHEBI:48649
structure data: InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6%3F%2Fm0%2Fs1

CHEBI CHEBI:18262
structure data: InChI%3D1S%2FC12H24O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2813%2914%2Fh2-11H2%2C1H3%2C%28H%2C13%2C14%29%2Fp-1

CHEBI CHEBI:16240
structure data: InChI%3D1S%2FH2O2%2Fc1-2%2Fh1-2H

biopax-level3ChemicalStructure160335
structure data: <atom id="CPD-11403-atom1" elementType="C" x2="15321.0" y2="-25928.0"/> <atom id="CPD-11403-atom2" elementType="C" x2="8177.0" y2="-21803.0"/> <atom id="CPD-11403-atom3" elementType="C" x2="8177.0" y2="-13553.0"/> <atom id="CPD-11403-atom4" elementType="C" x2="15321.0" y2="-9428.0"/> <atom id="CPD-11403-atom5" elementType="C" x2="22465.0" y2="-13553.0"/> <atom id="CPD-11403-atom6" elementType="C" x2="22465.0" y2="-21803.0"/> <atom id="CPD-11403-atom7" elementType="O" x2="1032.0" y2="-9429.0"/> <atom id="CPD-11403-atom8" elementType="C" x2="1032.0" y2="-1179.0"/> <atom id="CPD-11403-atom9" elementType="C" x2="-6113.0" y2="2947.0"/> <atom id="CPD-11403-atom10" elementType="C" x2="-6113.0" y2="11197.0"/> <atom id="CPD-11403-atom11" elementType="C" x2="1032.0" y2="15322.0"/> <atom id="CPD-11403-atom12" elementType="C" x2="8177.0" y2="11197.0"/> <atom id="CPD-11403-atom13" elementType="C" x2="8177.0" y2="2947.0"/> <atom id="CPD-11403-atom14" elementType="C" x2="1032.0" y2="23571.0"/> <atom id="CPD-11403-atom15" elementType="C" x2="-5474.0" y2="28644.0"/> <atom id="CPD-11403-atom16" elementType="O" x2="-4333.0" y2="36815.0" formalCharge="-1"/> <atom id="CPD-11403-atom17" elementType="O" x2="-13120.0" y2="25547.0"/> <atom id="CPD-11403-atom18" elementType="O" x2="29610.0" y2="-25928.0"/> <atom id="CPD-11403-atom19" elementType="I" x2="15321.0" y2="-34178.0"/> <atom id="CPD-11403-atom20" elementType="I" x2="29610.0" y2="-9429.0"/> <atom id="CPD-11403-atom21" elementType="I" x2="15321.0" y2="-1178.0"/> <atom id="CPD-11403-atom22" elementType="I" x2="-13257.0" y2="-1178.0"/> <bond id="CPD-11403-bond1" atomRefs="CPD-11403-atom1 CPD-11403-atom2" order="2"/> <bond id="CPD-11403-bond2" atomRefs="CPD-11403-atom2 CPD-11403-atom3" order="1"/> <bond id="CPD-11403-bond3" atomRefs="CPD-11403-atom3 CPD-11403-atom4" order="2"/> <bond id="CPD-11403-bond4" atomRefs="CPD-11403-atom4 CPD-11403-atom5" order="1"/> <bond id="CPD-11403-bond5" atomRefs="CPD-11403-atom5 CPD-11403-atom6" order="2"/…

CHEBI CHEBI:27520
structure data: InChI%3D1S%2FC7H14O7%2Fc8-1-3-4%2810%295%2811%296%2812%297%2813%2C2-9%2914-3%2Fh3-6%2C8-13H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6%2B%2C7-%2Fm1%2Fs1

CHEBI CHEBI:33871
structure data: InChI%3D1S%2FC3H6O4%2Fc4-1-2%285%293%286%297%2Fh2%2C4-5H%2C1H2%2C%28H%2C6%2C7%29%2Fp-1

CHEBI CHEBI:32420
structure data: InChI%3D1S%2FC20H38O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh11-12H%2C2-10%2C13-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb12-11-

biopax-level3ChemicalStructure157958
structure data: <cml> <molecule id="S-GERANYLGERANYL-PROTEIN" title="a S-geranylgeranyl protein" formalCharge="0"> <atomArray> <atom id="S-GERANYLGERANYL-PROTEIN-atom1" elementType="C" x2="-40465.0" y2="-80930.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom2" elementType="C" x2="-60000.0" y2="-80698.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom3" elementType="O" x2="89767.0" y2="-62558.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom4" elementType="C" x2="-50000.0" y2="-63256.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom5" elementType="C" x2="49070.0" y2="-75116.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom6" elementType="C" x2="-698.0" y2="-81628.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom7" elementType="Protein" x2="89535.0" y2="-100000.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom8" elementType="C" x2="89767.0" y2="-74186.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom9" elementType="C" x2="-10465.0" y2="-76047.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom10" elementType="C" x2="-10465.0" y2="-63953.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom11" elementType="C" x2="9535.0" y2="-76047.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom12" elementType="Protein" x2="99767.0" y2="-79767.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom13" elementType="C" x2="38837.0" y2="-81628.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom14" elementType="C" x2="-50000.0" y2="-75349.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom15" elementType="C" x2="-30465.0" y2="-75349.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom16" elementType="C" x2="29070.0" y2="-63953.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom17" elementType="C" x2="69535.0" y2="-74186.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom18" elementType="C" x2="-89070.0" y2="-73721.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom19" elementType="C" x2="-69535.0" y2="-74651.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom20" elementType="S" x2="59535.0" y2="-79767.0"/> <atom id="S-GERANYLGERANYL-PROTEIN-atom21" elementType="C" x2="-79302.0" y2="-80000.0"/> <atom id="S-GERANYLGERANYL-PR…

CHEBI CHEBI:18041
structure data: InChI%3D1S%2FC3H6O2%2Fc1-3%285%292-4%2Fh2-3%2C5H%2C1H3%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:58384
structure data: InChI%3D1S%2FC5H14N2%2Fc6-4-2-1-3-5-7%2Fh1-7H2%2Fp%2B2

CHEBI CHEBI:38299
structure data: InChI%3D1S%2FC18H32O3%2Fc1-2-3-10-13-16-17%2821-16%2914-11-8-6-4-5-7-9-12-15-18%2819%2920%2Fh8%2C11%2C16-17H%2C2-7%2C9-10%2C12-15H2%2C1H3%2C%28H%2C19%2C20%29%2Fb11-8-

CHEBI CHEBI:17015
structure data: InChI%3D1S%2FC17H20N4O6%2Fc1-7-3-9-10%284-8%287%292%2921%285-11%2823%2914%2825%2912%2824%296-22%2915-13%2818-9%2916%2826%2920-17%2827%2919-15%2Fh3-4%2C11-12%2C14%2C22-25H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C26%2C27%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1

CHEBI CHEBI:28972
structure data: InChI%3D1S%2FC3H8O2%2Fc1-3%285%292-4%2Fh3-5H%2C2H2%2C1H3%2Ft3-%2Fm1%2Fs1

biopax-level3ChemicalStructure150727
structure data: <cml> <molecule id="KERATAN" title="a keratan" formalCharge="0" dictRef="dictKERATAN"> <atomArray> <atom id="KERATAN-atom1" elementType="O" x2="212140.0" y2="-232770.0"/> <atom id="KERATAN-atom2" elementType="C" x2="140700.0" y2="-191520.0"/> <atom id="KERATAN-atom3" elementType="C" x2="140700.0" y2="-109020.0"/> <atom id="KERATAN-atom4" elementType="C" x2="212140.0" y2="-67770.0"/> <atom id="KERATAN-atom5" elementType="C" x2="283590.0" y2="-109020.0"/> <atom id="KERATAN-atom6" elementType="C" x2="283590.0" y2="-191520.0"/> <atom id="KERATAN-atom7" elementType="O" x2="-29460.0" y2="-61880.0"/> <atom id="KERATAN-atom8" elementType="C" x2="-100910.0" y2="-20630.0"/> <atom id="KERATAN-atom9" elementType="C" x2="-100910.0" y2="61880.0"/> <atom id="KERATAN-atom10" elementType="C" x2="-29460.0" y2="103130.0"/> <atom id="KERATAN-atom11" elementType="C" x2="41980.0" y2="61880.0"/> <atom id="KERATAN-atom12" elementType="C" x2="41980.0" y2="-20630.0"/> <atom id="KERATAN-atom13" elementType="O" x2="-303480.0" y2="109020.0"/> <atom id="KERATAN-atom14" elementType="C" x2="-374930.0" y2="150270.0"/> <atom id="KERATAN-atom15" elementType="C" x2="-374930.0" y2="232770.0"/> <atom id="KERATAN-atom16" elementType="C" x2="-303480.0" y2="274020.0"/> <atom id="KERATAN-atom17" elementType="C" x2="-232040.0" y2="232770.0"/> <atom id="KERATAN-atom18" elementType="C" x2="-232040.0" y2="150270.0"/> <atom id="KERATAN-atom19" elementType="O" x2="355040.0" y2="-232770.0"/> <atom id="KERATAN-atom20" elementType="R1" x2="426480.0" y2="-274020.0"/> <atom id="KERATAN-atom21" elementType="O" x2="341930.0" y2="-50680.0"/> <atom id="KERATAN-atom22" elementType="O" x2="212140.0" y2="14730.0"/> <atom id="KERATAN-atom23" elementType="O" x2="81030.0" y2="-76610.0"/> <atom id="KERATAN-atom24" elementType="C" x2="69250.0" y2="-232770.0"/> <atom id="KERATAN-atom25" elementType="O" x2="-2200.0" y2="-191520.0"/> <atom id="KERATAN-atom26" elementType="C" x2="-172360.0" y2="-61880.0"/> <atom id="KERATAN-atom27" e…

CHEBI CHEBI:33574
structure data: InChI%3D1S%2FC5H8O3S%2Fc1-9-3-2-4%286%295%287%298%2Fh2-3H2%2C1H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:28794
structure data: InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H

CHEBI CHEBI:64236
structure data: InChI%3D1S%2FC10H16O2%2Fc1-9%286-7-11%294-3-5-10%282%298-12%2Fh5-6%2C8%2C11H%2C3-4%2C7H2%2C1-2H3%2Fb9-6%2B%2C10-5%2B

CHEBI CHEBI:15940
structure data: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

biopax-level3ChemicalStructure136757
structure data: <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom1" elementType="N" x2="1751.0" y2="2695.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom2" elementType="C" x2="1751.0" y2="1870.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom3" elementType="N" x2="3176.0" y2="1870.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom4" elementType="C" x2="3176.0" y2="2695.0" formalCharge="-1"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom5" elementType="C" x2="2461.0" y2="3108.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom6" elementType="O" x2="2460.0" y2="3932.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom7" elementType="C" x2="3890.0" y2="3108.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom8" elementType="C" x2="4605.0" y2="2695.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom9" elementType="C" x2="5318.0" y2="3108.0"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom10" elementType="O" x2="5318.0" y2="3932.0" formalCharge="-1"/> <atom id="4-IMIDAZOLONE-5-PROPIONATE-atom11" elementType="O" x2="6034.0" y2="2695.0"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond1" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom9 4-IMIDAZOLONE-5-PROPIONATE-atom11" order="2"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond2" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom9 4-IMIDAZOLONE-5-PROPIONATE-atom10" order="1"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond3" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom8 4-IMIDAZOLONE-5-PROPIONATE-atom9" order="1"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond4" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom7 4-IMIDAZOLONE-5-PROPIONATE-atom8" order="1"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond5" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom4 4-IMIDAZOLONE-5-PROPIONATE-atom7" order="1"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond6" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom5 4-IMIDAZOLONE-5-PROPIONATE-atom6" order="2"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond7" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-atom2 4-IMIDAZOLONE-5-PROPIONATE-atom3" order="1"/> <bond id="4-IMIDAZOLONE-5-PROPIONATE-bond8" atomRefs="4-IMIDAZOLONE-5-PROPIONATE-at…

CHEBI CHEBI:58769
structure data: InChI%3D1S%2FC6H9NO2%2Fc8-6%289%295-3-1-2-4-7-5%2Fh4-5H%2C1-3H2%2C%28H%2C8%2C9%29%2Fp-1%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:52392
structure data: InChI%3D1S%2FC23H38O4%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23%2826%2927-22%2820-24%2921-25%2Fh6-7%2C9-10%2C12-13%2C15-16%2C22%2C24-25H%2C2-5%2C8%2C11%2C14%2C17-21H2%2C1H3%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-

biopax-level3ChemicalStructure167913
structure data: <cml> <molecule id="Fatty-Aldehydes" title="a fatty aldehyde" formalCharge="0"> <atomArray> <atom id="Fatty-Aldehydes-atom1" elementType="H" x2="0.0" y2="-3117.0"/> <atom id="Fatty-Aldehydes-atom2" elementType="O" x2="5230.0" y2="-15231.0"/> <atom id="Fatty-Aldehydes-atom3" elementType="C" x2="18686.0" y2="-1572.0"/> <atom id="Fatty-Aldehydes-atom4" elementType="C" x2="10587.0" y2="0.0"/> <atom id="Fatty-Aldehydes-atom5" elementType="C" x2="5176.0" y2="-6227.0"/> <atom id="Fatty-Aldehydes-atom6" elementType="R" x2="24519.0" y2="4261.0"/> </atomArray> <bondArray> <bond id="Fatty-Aldehydes-bond1" atomRefs="Fatty-Aldehydes-atom4 Fatty-Aldehydes-atom5" order="1"/> <bond id="Fatty-Aldehydes-bond2" atomRefs="Fatty-Aldehydes-atom3 Fatty-Aldehydes-atom4" order="1"/> <bond id="Fatty-Aldehydes-bond3" atomRefs="Fatty-Aldehydes-atom2 Fatty-Aldehydes-atom5" order="2"/> <bond id="Fatty-Aldehydes-bond4" atomRefs="Fatty-Aldehydes-atom1 Fatty-Aldehydes-atom5" order="1"/> <bond id="Fatty-Aldehydes-bond5" atomRefs="Fatty-Aldehydes-atom3 Fatty-Aldehydes-atom6" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])C[CH]=O</string> </molecule> </cml>

biopax-level3ChemicalStructure158003
structure data: <atom id="CPD-690-atom1" elementType="C" x2="26002.0" y2="-139669.0"/> <atom id="CPD-690-atom2" elementType="C" x2="33238.0" y2="-135544.0"/> <atom id="CPD-690-atom3" elementType="C" x2="43631.0" y2="-133162.0"/> <atom id="CPD-690-atom4" elementType="C" x2="39392.0" y2="-137834.0"/> <atom id="CPD-690-atom5" elementType="N" x2="33551.0" y2="-127513.0"/> <atom id="CPD-690-atom6" elementType="C" x2="45224.0" y2="-120409.0"/> <atom id="CPD-690-atom7" elementType="C" x2="41157.0" y2="-127248.0"/> <atom id="CPD-690-atom8" elementType="C" x2="41289.0" y2="-113467.0"/> <atom id="CPD-690-atom9" elementType="C" x2="44305.0" y2="-107807.0"/> <atom id="CPD-690-atom10" elementType="N" x2="33288.0" y2="-113364.0"/> <atom id="CPD-690-atom11" elementType="N" x2="18855.0" y2="-126971.0"/> <atom id="CPD-690-atom12" elementType="C" x2="18855.0" y2="-135544.0"/> <atom id="CPD-690-atom13" elementType="C" x2="12954.0" y2="-137835.0"/> <atom id="CPD-690-atom14" elementType="C" x2="8325.0" y2="-132882.0"/> <atom id="CPD-690-atom15" elementType="C" x2="11511.0" y2="-126973.0"/> <atom id="CPD-690-atom16" elementType="C" x2="20527.0" y2="-106465.0"/> <atom id="CPD-690-atom17" elementType="N" x2="20687.0" y2="-113202.0"/> <atom id="CPD-690-atom18" elementType="C" x2="11978.0" y2="-113050.0"/> <atom id="CPD-690-atom19" elementType="C" x2="9972.0" y2="-107470.0"/> <atom id="CPD-690-atom20" elementType="C" x2="14628.0" y2="-102502.0"/> <atom id="CPD-690-atom21" elementType="C" x2="38315.0" y2="-101635.0"/> <atom id="CPD-690-atom22" elementType="C" x2="33396.0" y2="-106148.0"/> <atom id="CPD-690-atom23" elementType="C" x2="27626.0" y2="-102843.0"/> <atom id="CPD-690-atom24" elementType="COBALT" x2="27090.0" y2="-121003.0" formalCharge="1"/> <atom id="CPD-690-atom25" elementType="C" x2="36567.0" y2="-143624.0"/> <atom id="CPD-690-atom26" elementType="C" x2="51765.0" y2="-134562.0"/> <atom id="CPD-690-atom27" elementType="C" x2="38365.0" y2="-94951.0"/> <atom id="CPD-690-atom28" elementType="C" x2="…

CHEBI CHEBI:53664
structure data: InChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)/p-1

CHEBI CHEBI:408174
structure data: InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft13-%2C19%2B%2Fm1%2Fs1

CHEBI CHEBI:17151
structure data: InChI%3D1S%2FC5H12O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3-10H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B

CHEBI CHEBI:16083
structure data: InChI%3D1S%2FC12H11NO3%2Fc1-7%2811%2814%2912%2815%2916%299-6-13-10-5-3-2-4-8%289%2910%2Fh2-7%2C13H%2C1H3%2C%28H%2C15%2C16%29%2Ft7-%2Fm0%2Fs1

CHEBI CHEBI:16526
structure data: InChI%3D1S%2FCO2%2Fc2-1-3

CHEBI CHEBI:49189
structure data: InChI%3D1S%2FC19H38O%2Fc1-16%282%299-6-10-17%283%2911-7-12-18%284%2913-8-14-19%285%2915-20%2Fh15-19H%2C6-14H2%2C1-5H3

CHEBI CHEBI:18790
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%2810%2C2-3-7%294-5%288%299%2Fh7%2C10H%2C2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1%2Ft6-%2Fm0%2Fs1

CHEBI CHEBI:32557
structure data: InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Fp%2B1%2Ft5-%2Fm1%2Fs1

CHEBI CHEBI:37127
structure data: InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)

CHEBI CHEBI:29108
structure data: InChI%3D1S%2FCa%2Fq%2B2

CHEBI CHEBI:28593
structure data: InChI%3D1S%2FC20H24N2O2%2Fc1-3-13-12-22-9-7-14%2813%2910-19%2822%2920%2823%2916-6-8-21-18-5-4-15%2824-2%2911-17%2816%2918%2Fh3-6%2C8%2C11%2C13-14%2C19-20%2C23H%2C1%2C7%2C9-10%2C12H2%2C2H3%2Ft13-%2C14-%2C19%2B%2C20-%2Fm0%2Fs1

biopax-level3ChemicalStructure161115
structure data: <atom id="CPD-8595-atom1" elementType="C" x2="-1431100.0" y2="-140100.0"/> <atom id="CPD-8595-atom2" elementType="C" x2="-716700.0" y2="-552700.0"/> <atom id="CPD-8595-atom3" elementType="C" x2="-716700.0" y2="-1377700.0"/> <atom id="CPD-8595-atom4" elementType="O" x2="-1431100.0" y2="-1790200.0"/> <atom id="CPD-8595-atom5" elementType="C" x2="-2145500.0" y2="-1377700.0"/> <atom id="CPD-8595-atom6" elementType="C" x2="-2145500.0" y2="-552700.0"/> <atom id="CPD-8595-atom7" elementType="O" x2="-1431100.0" y2="684900.0"/> <atom id="CPD-8595-atom8" elementType="N" x2="-2200.0" y2="-140200.0"/> <atom id="CPD-8595-atom9" elementType="C" x2="-2860000.0" y2="-1790200.0"/> <atom id="CPD-8595-atom10" elementType="O" x2="-3574500.0" y2="-1377700.0"/> <atom id="CPD-8595-atom11" elementType="C" x2="-2200.0" y2="684700.0"/> <atom id="CPD-8595-atom12" elementType="O" x2="-716700.0" y2="1097200.0"/> <atom id="CPD-8595-atom13" elementType="C" x2="712300.0" y2="1097200.0"/> <atom id="CPD-8595-atom14" elementType="O" x2="-2200.0" y2="-1790200.0"/> <atom id="CPD-8595-atom15" elementType="O" x2="-2860000.0" y2="-140200.0"/> <atom id="CPD-8595-atom16" elementType="General-Glycoprotein-Substrates" x2="-2200.0" y2="-2615200.0"/> <bond id="CPD-8595-bond1" atomRefs="CPD-8595-atom1 CPD-8595-atom2" order="1"/> <bond id="CPD-8595-bond2" atomRefs="CPD-8595-atom2 CPD-8595-atom3" order="1"/> <bond id="CPD-8595-bond3" atomRefs="CPD-8595-atom3 CPD-8595-atom4" order="1"/> <bond id="CPD-8595-bond4" atomRefs="CPD-8595-atom4 CPD-8595-atom5" order="1"/> <bond id="CPD-8595-bond5" atomRefs="CPD-8595-atom5 CPD-8595-atom6" order="1"/> <bond id="CPD-8595-bond6" atomRefs="CPD-8595-atom1 CPD-8595-atom6" order="1"/> <bond id="CPD-8595-bond7" atomRefs="CPD-8595-atom1 CPD-8595-atom7" order="1"/> <bond id="CPD-8595-bond8" atomRefs="CPD-8595-atom2 CPD-8595-atom8" order="1"/> <bond id="CPD-8595-bond9" atomRefs="CPD-8595-atom5 CPD-8595-atom9" order="1"/> <bond id="CPD-8595-bond10" atomRefs="CPD-8595-atom9 CPD-8595-ato…

biopax-level3ChemicalStructure174292
structure data: <atom id="ISOGLUTAMINE-atom1" elementType="O" x2="37934.0" y2="-18562.0"/> <atom id="ISOGLUTAMINE-atom2" elementType="O" x2="30790.0" y2="18562.0"/> <atom id="ISOGLUTAMINE-atom3" elementType="N" x2="23644.0" y2="-10313.0" formalCharge="1"/> <atom id="ISOGLUTAMINE-atom4" elementType="N" x2="45079.0" y2="-6188.0"/> <atom id="ISOGLUTAMINE-atom5" elementType="C" x2="30790.0" y2="2063.0"/> <atom id="ISOGLUTAMINE-atom6" elementType="C" x2="30790.0" y2="-6188.0"/> <atom id="ISOGLUTAMINE-atom7" elementType="C" x2="23644.0" y2="6188.0"/> <atom id="ISOGLUTAMINE-atom8" elementType="C" x2="37934.0" y2="-10313.0"/> <atom id="ISOGLUTAMINE-atom9" elementType="C" x2="23644.0" y2="14438.0"/> <atom id="ISOGLUTAMINE-atom10" elementType="O" x2="16499.0" y2="18562.0" formalCharge="-1"/> <bond id="ISOGLUTAMINE-bond1" atomRefs="ISOGLUTAMINE-atom1 ISOGLUTAMINE-atom8" order="2"/> <bond id="ISOGLUTAMINE-bond2" atomRefs="ISOGLUTAMINE-atom2 ISOGLUTAMINE-atom9" order="2"/> <bond id="ISOGLUTAMINE-bond3" atomRefs="ISOGLUTAMINE-atom6 ISOGLUTAMINE-atom3" order="1"/> <bond id="ISOGLUTAMINE-bond4" atomRefs="ISOGLUTAMINE-atom4 ISOGLUTAMINE-atom8" order="1"/> <bond id="ISOGLUTAMINE-bond5" atomRefs="ISOGLUTAMINE-atom5 ISOGLUTAMINE-atom6" order="1"/> <bond id="ISOGLUTAMINE-bond6" atomRefs="ISOGLUTAMINE-atom5 ISOGLUTAMINE-atom7" order="1"/> <bond id="ISOGLUTAMINE-bond7" atomRefs="ISOGLUTAMINE-atom6 ISOGLUTAMINE-atom8" order="1"/> <bond id="ISOGLUTAMINE-bond8" atomRefs="ISOGLUTAMINE-atom7 ISOGLUTAMINE-atom9" order="1"/> <bond id="ISOGLUTAMINE-bond9" atomRefs="ISOGLUTAMINE-atom9 ISOGLUTAMINE-atom10" order="1"/> <formula concise="H 10 C 5 N 2 O 3"/> 146.146 C(CC([O-])=O)C(C(N)=O)[N+]

biopax-level3ChemicalStructure172927
structure data: <atom id="CPD-12503-atom1" elementType="P" x2="5685.0" y2="2890.0"/> <atom id="CPD-12503-atom2" elementType="O" x2="4150.0" y2="857.0"/> <atom id="CPD-12503-atom3" elementType="O" x2="2030.0" y2="602.0"/> <atom id="CPD-12503-atom4" elementType="O" x2="2585.0" y2="2309.0"/> <atom id="CPD-12503-atom5" elementType="O" x2="5200.0" y2="2223.0"/> <atom id="CPD-12503-atom6" elementType="O" x2="4934.0" y2="-683.0"/> <atom id="CPD-12503-atom7" elementType="O" x2="6170.0" y2="3558.0" formalCharge="-1"/> <atom id="CPD-12503-atom8" elementType="O" x2="6352.0" y2="2405.0" formalCharge="-1"/> <atom id="CPD-12503-atom9" elementType="O" x2="5018.0" y2="3375.0"/> <atom id="CPD-12503-atom10" elementType="O" x2="5200.0" y2="-2304.0"/> <atom id="CPD-12503-atom11" elementType="N" x2="3482.0" y2="-453.0"/> <atom id="CPD-12503-atom12" elementType="N" x2="3070.0" y2="-1723.0"/> <atom id="CPD-12503-atom13" elementType="N" x2="4044.0" y2="-3144.0"/> <atom id="CPD-12503-atom14" elementType="C" x2="2815.0" y2="857.0"/> <atom id="CPD-12503-atom15" elementType="C" x2="3070.0" y2="1642.0"/> <atom id="CPD-12503-atom16" elementType="C" x2="3482.0" y2="372.0"/> <atom id="CPD-12503-atom17" elementType="C" x2="3895.0" y2="1642.0"/> <atom id="CPD-12503-atom18" elementType="C" x2="4380.0" y2="2309.0"/> <atom id="CPD-12503-atom19" elementType="C" x2="4150.0" y2="-938.0"/> <atom id="CPD-12503-atom20" elementType="C" x2="2815.0" y2="-938.0"/> <atom id="CPD-12503-atom21" elementType="C" x2="3895.0" y2="-1723.0"/> <atom id="CPD-12503-atom22" elementType="C" x2="4380.0" y2="-2390.0"/> <bond id="CPD-12503-bond1" atomRefs="CPD-12503-atom1 CPD-12503-atom5" order="1"/> <bond id="CPD-12503-bond2" atomRefs="CPD-12503-atom1 CPD-12503-atom7" order="1"/> <bond id="CPD-12503-bond3" atomRefs="CPD-12503-atom1 CPD-12503-atom8" order="1"/> <bond id="CPD-12503-bond4" atomRefs="CPD-12503-atom1 CPD-12503-atom9" order="2"/> <bond id="CPD-12503-bond5" atomRefs="CPD-12503-atom2 CPD-12503-atom16" order="1"/> <bond id="CPD-12503-b…

biopax-level3ChemicalStructure165226
structure data: <atom id="HEME_D-atom1" elementType="C" x2="96991.0" y2="4599.0"/> <atom id="HEME_D-atom2" elementType="C" x2="40447.0" y2="-25810.0"/> <atom id="HEME_D-atom3" elementType="C" x2="40322.0" y2="5204.0"/> <atom id="HEME_D-atom4" elementType="C" x2="84369.0" y2="-39475.0"/> <atom id="HEME_D-atom5" elementType="C" x2="45154.0" y2="-41421.0"/> <atom id="HEME_D-atom6" elementType="C" x2="100406.0" y2="-34385.0"/> <atom id="HEME_D-atom7" elementType="C" x2="89086.0" y2="-11240.0"/> <atom id="HEME_D-atom8" elementType="C" x2="48544.0" y2="-10164.0"/> <atom id="HEME_D-atom9" elementType="C" x2="68581.0" y2="9378.0"/> <atom id="HEME_D-atom10" elementType="C" x2="69047.0" y2="-30784.0"/> <atom id="HEME_D-atom11" elementType="C" x2="84316.0" y2="17381.0"/> <atom id="HEME_D-atom12" elementType="C" x2="53260.0" y2="18069.0"/> <atom id="HEME_D-atom13" elementType="C" x2="92106.0" y2="20356.0"/> <atom id="HEME_D-atom14" elementType="C" x2="45551.0" y2="21251.0"/> <atom id="HEME_D-atom15" elementType="C" x2="52991.0" y2="-38572.0"/> <atom id="HEME_D-atom16" elementType="C" x2="97302.0" y2="-26642.0"/> <atom id="HEME_D-atom17" elementType="C" x2="88742.0" y2="3368.0"/> <atom id="HEME_D-atom18" elementType="C" x2="48695.0" y2="-24579.0"/> <atom id="HEME_D-atom19" elementType="C" x2="84887.0" y2="-3926.0"/> <atom id="HEME_D-atom20" elementType="C" x2="52551.0" y2="-17286.0"/> <atom id="HEME_D-atom21" elementType="C" x2="75873.0" y2="5524.0"/> <atom id="HEME_D-atom22" elementType="C" x2="61755.0" y2="-26929.0"/> <atom id="HEME_D-atom23" elementType="C" x2="52591.0" y2="-3064.0"/> <atom id="HEME_D-atom24" elementType="C" x2="76157.0" y2="-27152.0"/> <atom id="HEME_D-atom25" elementType="C" x2="61460.0" y2="5757.0"/> <atom id="HEME_D-atom26" elementType="C" x2="85222.0" y2="-18523.0"/> <atom id="HEME_D-atom27" elementType="C" x2="82996.0" y2="9146.0"/> <atom id="HEME_D-atom28" elementType="C" x2="54441.0" y2="-30359.0"/> <atom id="HEME_D-atom29" elementType="C" x2="83269.0" y2="-31209.0"/…

CHEBI CHEBI:61651
structure data: InChI%3D1S%2FC39H66O7%2Fc1-7-8-9-13-33%2840%2944-23-32-34%2841%2935%2842%2936%2843%2937%2846-32%2945-27-18-20-38%285%2926%2822-27%2914-15-28-30-17-16-29%2825%284%2912-10-11-24%282%293%2939%2830%2C6%2921-19-31%2828%2938%2Fh14%2C24-25%2C27-32%2C34-37%2C41-43H%2C7-13%2C15-23H2%2C1-6H3%2Ft25-%2C27%2B%2C28%2B%2C29-%2C30%2B%2C31%2B%2C32-%2C34%2B%2C35%2B%2C36-%2C37-%2C38%2B%2C39-%2Fm1%2Fs1

CHEBI CHEBI:46020
structure data: InChI%3D1S%2FC4H12N%2Fc1-5%282%2C3%294%2Fh1-4H3%2Fq%2B1

CHEBI CHEBI:59684
structure data: InChI%3D1S%2FC13H16O3%2Fc14-12%2815%2911%2810-6-2-1-3-7-10%2913%2816%298-4-5-9-13%2Fh1-3%2C6-7%2C11%2C16H%2C4-5%2C8-9H2%2C%28H%2C14%2C15%29

CHEBI CHEBI:16199
structure data: InChI%3D1S%2FCH4N2O%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29

CHEBI CHEBI:18329
structure data: InChI%3D1S%2FC19H32O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh12-17%2C20-21H%2C3-11H2%2C1-2H3%2Ft12-%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:30813
structure data: InChI%3D1S%2FC10H20O2%2Fc1-2-3-4-5-6-7-8-9-10%2811%2912%2Fh2-9H2%2C1H3%2C%28H%2C11%2C12%29

biopax-level3ChemicalStructure143209
structure data: <cml> <molecule id="Beta-D-Mannosides" title="a beta-D-mannoside" formalCharge="0" dictRef="dictBeta-D-Mannosides"> <atomArray> <atom id="Beta-D-Mannosides-atom1" elementType="O" x2="-20036.0" y2="-8545.0"/> <atom id="Beta-D-Mannosides-atom2" elementType="C" x2="-27180.0" y2="-4420.0"/> <atom id="Beta-D-Mannosides-atom3" elementType="C" x2="-27180.0" y2="3830.0"/> <atom id="Beta-D-Mannosides-atom4" elementType="C" x2="-20036.0" y2="7956.0"/> <atom id="Beta-D-Mannosides-atom5" elementType="C" x2="-12891.0" y2="3830.0"/> <atom id="Beta-D-Mannosides-atom6" elementType="C" x2="-12891.0" y2="-4420.0"/> <atom id="Beta-D-Mannosides-atom7" elementType="O" x2="-5746.0" y2="-8545.0"/> <atom id="Beta-D-Mannosides-atom8" elementType="O" x2="-5746.0" y2="7955.0"/> <atom id="Beta-D-Mannosides-atom9" elementType="O" x2="-20036.0" y2="16206.0"/> <atom id="Beta-D-Mannosides-atom10" elementType="O" x2="-34325.0" y2="7955.0"/> <atom id="Beta-D-Mannosides-atom11" elementType="C" x2="-34325.0" y2="-8545.0"/> <atom id="Beta-D-Mannosides-atom12" elementType="R" x2="2223.0" y2="-6409.0"/> <atom id="Beta-D-Mannosides-atom13" elementType="O" x2="-42294.0" y2="-6410.0"/> </atomArray> <bondArray> <bond id="Beta-D-Mannosides-bond1" atomRefs="Beta-D-Mannosides-atom1 Beta-D-Mannosides-atom2" order="1"/> <bond id="Beta-D-Mannosides-bond2" atomRefs="Beta-D-Mannosides-atom2 Beta-D-Mannosides-atom3" order="1"/> <bond id="Beta-D-Mannosides-bond3" atomRefs="Beta-D-Mannosides-atom3 Beta-D-Mannosides-atom4" order="1"/> <bond id="Beta-D-Mannosides-bond4" atomRefs="Beta-D-Mannosides-atom4 Beta-D-Mannosides-atom5" order="1"/> <bond id="Beta-D-Mannosides-bond5" atomRefs="Beta-D-Mannosides-atom5 Beta-D-Mannosides-atom6" order="1"/> <bond id="Beta-D-Mannosides-bond6" atomRefs="Beta-D-Mannosides-atom1 Beta-D-Mannosides-atom6" order="1"/> <bond id="Beta-D-Mannosides-bond7" atomRefs="Beta-D-Mannosides-atom6 Beta-D-Mannosides-atom7" order="1"/> <bond id="Beta-D-Mannosides-bond8" atomRefs="Beta-D-Mannosides-atom5 B…

biopax-level3ChemicalStructure151912
structure data: <atom id="APS-atom1" elementType="N" x2="4100.0" y2="0.0"/> <atom id="APS-atom2" elementType="O" x2="2443.0" y2="-2462.0"/> <atom id="APS-atom3" elementType="O" x2="843.0" y2="-2462.0"/> <atom id="APS-atom4" elementType="O" x2="0.0" y2="-3306.0"/> <atom id="APS-atom5" elementType="O" x2="4537.0" y2="-5186.0"/> <atom id="APS-atom6" elementType="O" x2="5302.0" y2="-5186.0"/> <atom id="APS-atom7" elementType="O" x2="2443.0" y2="-4159.0" formalCharge="-1"/> <atom id="APS-atom8" elementType="O" x2="843.0" y2="-4159.0" formalCharge="-1"/> <atom id="APS-atom9" elementType="C" x2="3422.0" y2="-2132.0"/> <atom id="APS-atom10" elementType="C" x2="6165.0" y2="-1677.0"/> <atom id="APS-atom11" elementType="C" x2="3945.0" y2="-3306.0"/> <atom id="APS-atom12" elementType="N" x2="3422.0" y2="-1270.0"/> <atom id="APS-atom13" elementType="N" x2="4168.0" y2="-2530.0"/> <atom id="APS-atom14" elementType="N" x2="5574.0" y2="-911.0"/> <atom id="APS-atom15" elementType="O" x2="3199.0" y2="-3306.0"/> <atom id="APS-atom16" elementType="O" x2="4944.0" y2="-3858.0"/> <atom id="APS-atom17" elementType="O" x2="1619.0" y2="-3306.0"/> <atom id="APS-atom18" elementType="C" x2="4100.0" y2="-843.0"/> <atom id="APS-atom19" elementType="C" x2="4856.0" y2="-1240.0"/> <atom id="APS-atom20" elementType="C" x2="4856.0" y2="-2074.0"/> <atom id="APS-atom21" elementType="C" x2="4537.0" y2="-4711.0"/> <atom id="APS-atom22" elementType="C" x2="5302.0" y2="-4711.0"/> <atom id="APS-atom23" elementType="N" x2="5603.0" y2="-2462.0"/> <atom id="APS-atom24" elementType="C" x2="4275.0" y2="-4245.0"/> <atom id="APS-atom25" elementType="C" x2="5603.0" y2="-4245.0"/> <atom id="APS-atom26" elementType="P" x2="2443.0" y2="-3306.0"/> <atom id="APS-atom27" elementType="S" x2="843.0" y2="-3306.0"/> <bond id="APS-bond1" atomRefs="APS-atom25 APS-atom23" order="1"/> <bond id="APS-bond2" atomRefs="APS-atom22 APS-atom25" order="1"/> <bond id="APS-bond3" atomRefs="APS-atom21 APS-atom24" order="1"/> <bond id="APS-bond4" atomRefs="A…

CHEBI CHEBI:63177
structure data: InChI%3D1S%2FC30H50O2%2Fc1-25%282%2913-14-27%285%2915-16-29%287%2919%2820%2827%2918-25%2917-21%2831%2924-28%286%2911-10-23%2832%2926%283%2C4%2922%2828%299-12-30%2824%2C29%298%2Fh17%2C20-24%2C31-32H%2C9-16%2C18H2%2C1-8H3%2Ft20-%2C21%2B%2C22-%2C23-%2C24%2B%2C27%2B%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

CHEBI CHEBI:6673
structure data: InChI%3D1S%2FC18H32O2%2Fc1-2-3-4-5-6-9-12-16-15-17%2816%2913-10-7-8-11-14-18%2819%2920%2Fh2-15H2%2C1H3%2C%28H%2C19%2C20%29

CHEBI CHEBI:17735
structure data: InChI%3D1S%2FC8H11NO%2Fc1-9%282%2C10%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3

CHEBI CHEBI:17490
structure data: InChI%3D1S%2FC23H45NO4%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23%2827%2928-21%2819-22%2825%2926%2920-24%282%2C3%294%2Fh21H%2C5-20H2%2C1-4H3%2Ft21-%2Fm0%2Fs1

CHEBI CHEBI:65081
structure data: InChI%3D1S%2FC7H6O5%2Fc8-5%287%2810%2911%293-4-1-2-6%289%2912-4%2Fh3H%2C1-2H2%2C%28H%2C10%2C11%29%2Fp-1%2Fb4-3-

CHEBI CHEBI:16718
structure data: InChI%3D1S%2FC19H23NO4%2Fc1-20-7-6-13-10-19%2824-3%2917%2822%2911-14%2813%2915%2820%298-12-4-5-18%2823-2%2916%2821%299-12%2Fh4-5%2C9-11%2C15%2C21-22H%2C6-8H2%2C1-3H3%2Ft15-%2Fm0%2Fs1

biopax-level3ChemicalStructure125107
structure data: <atom id="CPD-12826-atom1" elementType="C" x2="-33044.0" y2="22688.0"/> <atom id="CPD-12826-atom2" elementType="C" x2="-33044.0" y2="14438.0"/> <atom id="CPD-12826-atom3" elementType="N" x2="-40189.0" y2="26813.0"/> <atom id="CPD-12826-atom4" elementType="N" x2="-25900.0" y2="10313.0"/> <atom id="CPD-12826-atom5" elementType="N" x2="-25900.0" y2="26813.0"/> <atom id="CPD-12826-atom6" elementType="N" x2="-47334.0" y2="14438.0"/> <atom id="CPD-12826-atom7" elementType="C" x2="-47334.0" y2="22688.0"/> <atom id="CPD-12826-atom8" elementType="C" x2="-40189.0" y2="10313.0"/> <atom id="CPD-12826-atom9" elementType="C" x2="-18755.0" y2="14438.0"/> <atom id="CPD-12826-atom10" elementType="C" x2="-18755.0" y2="22688.0"/> <atom id="CPD-12826-atom11" elementType="N" x2="-54478.0" y2="26813.0"/> <atom id="CPD-12826-atom12" elementType="O" x2="-40189.0" y2="2063.0"/> <atom id="CPD-12826-atom13" elementType="C" x2="-11610.0" y2="10313.0"/> <atom id="CPD-12826-atom14" elementType="N" x2="-4465.0" y2="14438.0"/> <atom id="CPD-12826-atom15" elementType="C" x2="2680.0" y2="10312.0"/> <atom id="CPD-12826-atom16" elementType="C" x2="16969.0" y2="10312.0"/> <atom id="CPD-12826-atom17" elementType="C" x2="9824.0" y2="14437.0"/> <atom id="CPD-12826-atom18" elementType="C" x2="2680.0" y2="2062.0"/> <atom id="CPD-12826-atom19" elementType="C" x2="9824.0" y2="-2063.0"/> <atom id="CPD-12826-atom20" elementType="C" x2="16969.0" y2="2062.0"/> <atom id="CPD-12826-atom21" elementType="C" x2="24114.0" y2="-2063.0"/> <atom id="CPD-12826-atom22" elementType="O" x2="24114.0" y2="-10313.0"/> <atom id="CPD-12826-atom23" elementType="N" x2="31258.0" y2="2062.0"/> <atom id="CPD-12826-atom24" elementType="O" x2="38403.0" y2="-26813.0"/> <atom id="CPD-12826-atom25" elementType="C" x2="38403.0" y2="-2063.0"/> <atom id="CPD-12826-atom26" elementType="O" x2="52692.0" y2="-2063.0" formalCharge="-1"/> <atom id="CPD-12826-atom27" elementType="C" x2="45547.0" y2="2062.0"/> <atom id="CPD-12826-atom28" elementType="…

biopax-level3ChemicalStructure131776
structure data: <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom1" elementType="C" x2="3779.0" y2="1446.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom2" elementType="C" x2="-5459.0" y2="-10871.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom3" elementType="O" x2="-1913.0" y2="-4526.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom4" elementType="C" x2="15350.0" y2="-14883.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom5" elementType="P" x2="-20948.0" y2="-10871.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom6" elementType="C" x2="-5459.0" y2="-16096.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom7" elementType="C" x2="11337.0" y2="-24214.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom8" elementType="O" x2="-13483.0" y2="-10871.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom9" elementType="O" x2="29066.0" y2="16283.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom10" elementType="O" x2="-29160.0" y2="-10871.0" formalCharge="-1"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom11" elementType="N" x2="15350.0" y2="1446.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom12" elementType="N" x2="15163.0" y2="9284.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom13" elementType="O" x2="5085.0" y2="-10124.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom14" elementType="C" x2="24681.0" y2="9284.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom15" elementType="O" x2="-20948.0" y2="-2659.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom16" elementType="C" x2="-1540.0" y2="-24214.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom17" elementType="O" x2="-20948.0" y2="-19082.0" formalCharge="-1"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom18" elementType="O" x2="-1540.0" y2="-29160.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom19" elementType="O" x2="11337.0" y2="-29160.0"/> <atom id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-atom20" elementType="C" x2="3779.0" y2="9284.0"/> <bond id="5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE-bond1" atomRefs="5-P-…

CHEBI CHEBI:60960
structure data: InChI%3D1S%2FC18H28O3%2Fc1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18%2819%2920%2Fh3-4%2C7%2C10%2C13-14%2C16-17H%2C2%2C5-6%2C8-9%2C11-12%2C15H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb4-3-%2C10-7-%2C16-13%2B%2C17-14%2B

CHEBI CHEBI:63864
structure data: InChI%3D1S%2FC11H22O2%2Fc1-9%282%295-4-6-10%283%297-8-11%2812%2913%2Fh9-10H%2C4-8H2%2C1-3H3%2C%28H%2C12%2C13%29

CHEBI CHEBI:18407
structure data: InChI%3D1S%2FCHN%2Fc1-2%2Fh1H

CHEBI CHEBI:27975
structure data: InChI%3D1S%2FC3H6O3%2Fc4-1-3%286%292-5%2Fh1%2C3%2C5-6H%2C2H2%2Ft3-%2Fm1%2Fs1

CHEBI CHEBI:57444
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-10-13-16-19%2824-23%2917-14-11-8-6-7-9-12-15-18-20%2821%2922%2Fh7-11%2C13-14%2C17%2C19%2C23H%2C2-6%2C12%2C15-16%2C18H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb9-7-%2C11-8-%2C13-10-%2C17-14%2B%2Ft19-%2Fm0%2Fs1

CHEBI CHEBI:61812
structure data: InChI%3D1S%2FC11H24NO6P%2Fc1-12%282%2C3%298-10-18-19%2815%2C16%2917-9-6-4-5-7-11%2813%2914%2Fh4-10H2%2C1-3H3%2C%28H-%2C13%2C14%2C15%2C16%29%2Fp-1

CHEBI CHEBI:62770
structure data: InChI%3D1S%2FC32H44O14%2Fc1-17%2811-7-13-19%283%2929%2840%2941%299-5-6-10-18%282%2912-8-14-20%284%2930%2842%2946-32-28%2839%2926%2837%2924%2835%2922%2845-32%2916-43-31-27%2838%2925%2836%2923%2834%2921%2815-33%2944-31%2Fh5-14%2C21-28%2C31-39H%2C15-16H2%2C1-4H3%2C%28H%2C40%2C41%29%2Fp-1%2Fb6-5%2B%2C11-7%2B%2C12-8%2B%2C17-9%2B%2C18-10%2B%2C19-13%2B%2C20-14%2B%2Ft21-%2C22-%2C23-%2C24-%2C25%2B%2C26%2B%2C27-%2C28-%2C31-%2C32%2B%2Fm1%2Fs1

CHEBI CHEBI:3638
structure data: InChI%3D1S%2FC18H26ClN3%2Fc1-4-22%285-2%2912-6-7-14%283%2921-17-10-11-20-18-13-15%2819%298-9-16%2817%2918%2Fh8-11%2C13-14H%2C4-7%2C12H2%2C1-3H3%2C%28H%2C20%2C21%29

biopax-level3ChemicalStructure142011
structure data: <atom id="CPD-13319-atom1" elementType="C" x2="-324.0" y2="-2888.0"/> <atom id="CPD-13319-atom2" elementType="C" x2="-1039.0" y2="-2475.0"/> <atom id="CPD-13319-atom3" elementType="C" x2="-1039.0" y2="-1650.0"/> <atom id="CPD-13319-atom4" elementType="N" x2="-324.0" y2="-1238.0"/> <atom id="CPD-13319-atom5" elementType="C" x2="390.0" y2="-1650.0"/> <atom id="CPD-13319-atom6" elementType="N" x2="390.0" y2="-2475.0"/> <atom id="CPD-13319-atom7" elementType="N" x2="-1823.0" y2="-2730.0"/> <atom id="CPD-13319-atom8" elementType="C" x2="-2308.0" y2="-2062.0"/> <atom id="CPD-13319-atom9" elementType="N" x2="-1823.0" y2="-1395.0"/> <atom id="CPD-13319-atom10" elementType="N" x2="1105.0" y2="-1238.0"/> <atom id="CPD-13319-atom11" elementType="O" x2="-324.0" y2="-3712.0"/> <atom id="CPD-13319-atom12" elementType="C" x2="-324.0" y2="-412.0"/> <bond id="CPD-13319-bond1" atomRefs="CPD-13319-atom1 CPD-13319-atom2" order="1"/> <bond id="CPD-13319-bond2" atomRefs="CPD-13319-atom1 CPD-13319-atom6" order="1"/> <bond id="CPD-13319-bond3" atomRefs="CPD-13319-atom3 CPD-13319-atom4" order="1"/> <bond id="CPD-13319-bond4" atomRefs="CPD-13319-atom4 CPD-13319-atom5" order="1"/> <bond id="CPD-13319-bond5" atomRefs="CPD-13319-atom5 CPD-13319-atom6" order="2"/> <bond id="CPD-13319-bond6" atomRefs="CPD-13319-atom9 CPD-13319-atom3" order="1"/> <bond id="CPD-13319-bond7" atomRefs="CPD-13319-atom3 CPD-13319-atom2" order="2"/> <bond id="CPD-13319-bond8" atomRefs="CPD-13319-atom7 CPD-13319-atom2" order="1"/> <bond id="CPD-13319-bond9" atomRefs="CPD-13319-atom7 CPD-13319-atom8" order="2"/> <bond id="CPD-13319-bond10" atomRefs="CPD-13319-atom8 CPD-13319-atom9" order="1"/> <bond id="CPD-13319-bond11" atomRefs="CPD-13319-atom5 CPD-13319-atom10" order="1"/> <bond id="CPD-13319-bond12" atomRefs="CPD-13319-atom1 CPD-13319-atom11" order="2"/> <bond id="CPD-13319-bond13" atomRefs="CPD-13319-atom4 CPD-13319-atom12" order="1"/> <formula concise="H 7 O 1 N 5 C 6"/> 165.154 C2(=O)(N=C(N)N(C)C1(=C(N=CN1)2))

biopax-level3ChemicalStructure143819
structure data: <atom id="N-sulfo-D-glucosamine-atom1" elementType="O" x2="71837.0" y2="-6665.0"/> <atom id="N-sulfo-D-glucosamine-atom2" elementType="N" x2="71837.0" y2="9815.0"/> <atom id="N-sulfo-D-glucosamine-atom3" elementType="O" x2="57509.0" y2="18033.0"/> <atom id="N-sulfo-D-glucosamine-atom4" elementType="O" x2="43318.0" y2="9816.0"/> <atom id="N-sulfo-D-glucosamine-atom5" elementType="O" x2="57508.0" y2="-6665.0"/> <atom id="N-sulfo-D-glucosamine-atom6" elementType="O" x2="37009.0" y2="-1348.0"/> <atom id="N-sulfo-D-glucosamine-atom7" elementType="C" x2="64696.0" y2="-2556.0"/> <atom id="N-sulfo-D-glucosamine-atom8" elementType="C" x2="64696.0" y2="5706.0"/> <atom id="N-sulfo-D-glucosamine-atom9" elementType="C" x2="57508.0" y2="9816.0"/> <atom id="N-sulfo-D-glucosamine-atom10" elementType="C" x2="50369.0" y2="5708.0"/> <atom id="N-sulfo-D-glucosamine-atom11" elementType="C" x2="50369.0" y2="-2555.0"/> <atom id="N-sulfo-D-glucosamine-atom12" elementType="C" x2="43318.0" y2="-6664.0"/> <atom id="N-sulfo-D-glucosamine-atom13" elementType="S" x2="71850.0" y2="23632.0"/> <atom id="N-sulfo-D-glucosamine-atom14" elementType="O" x2="63595.0" y2="23608.0"/> <atom id="N-sulfo-D-glucosamine-atom15" elementType="O" x2="71830.0" y2="31843.0"/> <atom id="N-sulfo-D-glucosamine-atom16" elementType="O" x2="79714.0" y2="23640.0" formalCharge="-1"/> <bond id="N-sulfo-D-glucosamine-bond1" atomRefs="N-sulfo-D-glucosamine-atom13 N-sulfo-D-glucosamine-atom16" order="1"/> <bond id="N-sulfo-D-glucosamine-bond2" atomRefs="N-sulfo-D-glucosamine-atom13 N-sulfo-D-glucosamine-atom15" order="2"/> <bond id="N-sulfo-D-glucosamine-bond3" atomRefs="N-sulfo-D-glucosamine-atom13 N-sulfo-D-glucosamine-atom14" order="2"/> <bond id="N-sulfo-D-glucosamine-bond4" atomRefs="N-sulfo-D-glucosamine-atom2 N-sulfo-D-glucosamine-atom13" order="1"/> <bond id="N-sulfo-D-glucosamine-bond5" atomRefs="N-sulfo-D-glucosamine-atom10 N-sulfo-D-glucosamine-atom4" order="1"/> <bond id="N-sulfo-D-glucosamine-bond6" atomRefs="N-sul…

biopax-level3ChemicalStructure126437
structure data: <atom id="TRP-atom1" elementType="C" x2="320.0" y2="26250.0"/> <atom id="TRP-atom2" elementType="C" x2="-8300.0" y2="108300.0"/> <atom id="TRP-atom3" elementType="N" x2="-89000.0" y2="125450.0"/> <atom id="TRP-atom4" elementType="C" x2="-130250.0" y2="54010.0"/> <atom id="TRP-atom5" elementType="C" x2="-75050.0" y2="-7300.0"/> <atom id="TRP-atom6" elementType="C" x2="-100540.0" y2="-85760.0"/> <atom id="TRP-atom7" elementType="C" x2="-210950.0" y2="36850.0"/> <atom id="TRP-atom8" elementType="C" x2="-236440.0" y2="-41610.0"/> <atom id="TRP-atom9" elementType="C" x2="-181240.0" y2="-102920.0"/> <atom id="TRP-atom10" elementType="O" x2="214660.0" y2="-97500.0"/> <atom id="TRP-atom11" elementType="C" x2="214660.0" y2="-15000.0"/> <atom id="TRP-atom12" elementType="O" x2="286110.0" y2="26250.0" formalCharge="-1"/> <atom id="TRP-atom13" elementType="C" x2="143210.0" y2="26250.0"/> <atom id="TRP-atom14" elementType="N" x2="143210.0" y2="108750.0" formalCharge="1"/> <atom id="TRP-atom15" elementType="C" x2="71770.0" y2="-15000.0"/> <bond id="TRP-bond1" atomRefs="TRP-atom1 TRP-atom2" order="2"/> <bond id="TRP-bond2" atomRefs="TRP-atom1 TRP-atom5" order="1"/> <bond id="TRP-bond3" atomRefs="TRP-atom2 TRP-atom3" order="1"/> <bond id="TRP-bond4" atomRefs="TRP-atom3 TRP-atom4" order="1"/> <bond id="TRP-bond5" atomRefs="TRP-atom4 TRP-atom5" order="2"/> <bond id="TRP-bond6" atomRefs="TRP-atom4 TRP-atom7" order="1"/> <bond id="TRP-bond7" atomRefs="TRP-atom5 TRP-atom6" order="1"/> <bond id="TRP-bond8" atomRefs="TRP-atom6 TRP-atom9" order="2"/> <bond id="TRP-bond9" atomRefs="TRP-atom7 TRP-atom8" order="2"/> <bond id="TRP-bond10" atomRefs="TRP-atom8 TRP-atom9" order="1"/> <bond id="TRP-bond11" atomRefs="TRP-atom11 TRP-atom10" order="2"/> <bond id="TRP-bond12" atomRefs="TRP-atom12 TRP-atom11" order="1"/> <bond id="TRP-bond13" atomRefs="TRP-atom13 TRP-atom11" order="1"/> <bond id="TRP-bond14" atomRefs="TRP-atom13 TRP-atom14" order="1"/> <bond id="TRP-bond15" atomRefs="TRP-atom15 TRP-ato…

biopax-level3ChemicalStructure130097
structure data: <atom id="NADH-atom1" elementType="N" x2="0.0" y2="-17074.0"/> <atom id="NADH-atom2" elementType="N" x2="115524.0" y2="-54130.0"/> <atom id="NADH-atom3" elementType="O" x2="7143.0" y2="-4696.0"/> <atom id="NADH-atom4" elementType="O" x2="88800.0" y2="-22764.0"/> <atom id="NADH-atom5" elementType="O" x2="72335.0" y2="-22824.0"/> <atom id="NADH-atom6" elementType="O" x2="108566.0" y2="-2961.0"/> <atom id="NADH-atom7" elementType="O" x2="52084.0" y2="0.0"/> <atom id="NADH-atom8" elementType="O" x2="126520.0" y2="-2914.0"/> <atom id="NADH-atom9" elementType="O" x2="34131.0" y2="0.0"/> <atom id="NADH-atom10" elementType="O" x2="88776.0" y2="-6348.0" formalCharge="-1"/> <atom id="NADH-atom11" elementType="O" x2="72306.0" y2="-6324.0" formalCharge="-1"/> <atom id="NADH-atom12" elementType="C" x2="21436.0" y2="-29446.0"/> <atom id="NADH-atom13" elementType="C" x2="14292.0" y2="-25324.0"/> <atom id="NADH-atom14" elementType="C" x2="108440.0" y2="-33473.0"/> <atom id="NADH-atom15" elementType="C" x2="28585.0" y2="-25324.0"/> <atom id="NADH-atom16" elementType="C" x2="135458.0" y2="-37583.0"/> <atom id="NADH-atom17" elementType="C" x2="21436.0" y2="-12946.0"/> <atom id="NADH-atom18" elementType="C" x2="103128.0" y2="-20006.0"/> <atom id="NADH-atom19" elementType="C" x2="56912.0" y2="-18672.0"/> <atom id="NADH-atom20" elementType="N" x2="108440.0" y2="-41770.0"/> <atom id="NADH-atom21" elementType="N" x2="115548.0" y2="-29279.0"/> <atom id="NADH-atom22" elementType="N" x2="130648.0" y2="-44325.0"/> <atom id="NADH-atom23" elementType="O" x2="97008.0" y2="-14538.0"/> <atom id="NADH-atom24" elementType="O" x2="64074.0" y2="-14574.0"/> <atom id="NADH-atom25" elementType="O" x2="117510.0" y2="-22213.0"/> <atom id="NADH-atom26" elementType="O" x2="43105.0" y2="-19372.0"/> <atom id="NADH-atom27" elementType="O" x2="80585.0" y2="-14556.0"/> <atom id="NADH-atom28" elementType="C" x2="7143.0" y2="-12946.0"/> <atom id="NADH-atom29" elementType="C" x2="115548.0" y2="-45874.0"/> <atom id="N…

biopax-level3ChemicalStructure158726
structure data: <cml> <molecule id="CPD-7181" title="N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide" formalCharge="0" dictRef="dictCPD-7181"> <atomArray> <atom id="CPD-7181-atom1" elementType="C" x2="31724.0" y2="-12522.0"/> <atom id="CPD-7181-atom2" elementType="C" x2="9754.0" y2="-364.0"/> <atom id="CPD-7181-atom3" elementType="O" x2="7295.0" y2="0.0"/> <atom id="CPD-7181-atom4" elementType="O" x2="14200.0" y2="-15876.0"/> <atom id="CPD-7181-atom5" elementType="O" x2="3075.0" y2="-2375.0"/> <atom id="CPD-7181-atom6" elementType="O" x2="9838.0" y2="-8189.0"/> <atom id="CPD-7181-atom7" elementType="O" x2="0.0" y2="-8329.0"/> <atom id="CPD-7181-atom8" elementType="O" x2="4556.0" y2="-11069.0"/> <atom id="CPD-7181-atom9" elementType="O" x2="2404.0" y2="-4417.0"/> <atom id="CPD-7181-atom10" elementType="O" x2="14142.0" y2="-10231.0"/> <atom id="CPD-7181-atom11" elementType="O" x2="9754.0" y2="-5534.0"/> <atom id="CPD-7181-atom12" elementType="O" x2="6038.0" y2="-811.0"/> <atom id="CPD-7181-atom13" elementType="O" x2="9699.0" y2="-4053.0"/> <atom id="CPD-7181-atom14" elementType="O" x2="10816.0" y2="-9643.0"/> <atom id="CPD-7181-atom15" elementType="O" x2="8413.0" y2="-7967.0"/> <atom id="CPD-7181-atom16" elementType="O" x2="1146.0" y2="-6317.0"/> <atom id="CPD-7181-atom17" elementType="O" x2="5982.0" y2="-6317.0"/> <atom id="CPD-7181-atom18" elementType="R" x2="15541.0" y2="-14031.0"/> <atom id="CPD-7181-atom19" elementType="C" x2="16351.0" y2="-11656.0"/> <atom id="CPD-7181-atom20" elementType="C" x2="15233.0" y2="-12494.0"/> <atom id="CPD-7181-atom21" elementType="C" x2="30635.0" y2="-11656.0"/> <atom id="CPD-7181-atom22" elementType="C" x2="17553.0" y2="-12382.0"/> <atom id="CPD-7181-atom23" elementType="C" x2="9838.0" y2="-6792.0"/> <atom id="CPD-7181-atom24" elementType="C" x2="1146.0" y2="-9111.0"/> <atom id="CPD-7181-atom25" elementType="C" x2="5703.0" y2="-11878.0"/> <atom id="CPD-7181-atom26" elementType="C" x2="29377.0" y2="-12298.0"/> <atom id="CPD-71…

biopax-level3ChemicalStructure139713
structure data: <cml> <molecule id="Nucleoside-Monophosphates" title="a nucleoside monophosphate" formalCharge="-2" dictRef="dictNucleoside-Monophosphates"> <atomArray> <atom id="Nucleoside-Monophosphates-atom1" elementType="O" x2="823800.0" y2="-1986700.0"/> <atom id="Nucleoside-Monophosphates-atom2" elementType="O" x2="4603100.0" y2="0.0"/> <atom id="Nucleoside-Monophosphates-atom3" elementType="O" x2="2805600.0" y2="-1300.0"/> <atom id="Nucleoside-Monophosphates-atom4" elementType="O" x2="0.0" y2="-1163800.0" formalCharge="-1"/> <atom id="Nucleoside-Monophosphates-atom5" elementType="O" x2="821300.0" y2="-340900.0" formalCharge="-1"/> <atom id="Nucleoside-Monophosphates-atom6" elementType="R" x2="5292100.0" y2="-2577700.0"/> <atom id="Nucleoside-Monophosphates-atom7" elementType="C" x2="2260300.0" y2="-1710000.0"/> <atom id="Nucleoside-Monophosphates-atom8" elementType="O" x2="1646600.0" y2="-1161900.0"/> <atom id="Nucleoside-Monophosphates-atom9" elementType="O" x2="3702900.0" y2="-1931700.0"/> <atom id="Nucleoside-Monophosphates-atom10" elementType="C" x2="4118900.0" y2="-665300.0"/> <atom id="Nucleoside-Monophosphates-atom11" elementType="C" x2="3291500.0" y2="-665300.0"/> <atom id="Nucleoside-Monophosphates-atom12" elementType="C" x2="4373300.0" y2="-1452700.0"/> <atom id="Nucleoside-Monophosphates-atom13" elementType="C" x2="3041800.0" y2="-1452700.0"/> <atom id="Nucleoside-Monophosphates-atom14" elementType="P" x2="822900.0" y2="-1163800.0"/> </atomArray> <bondArray> <bond id="Nucleoside-Monophosphates-bond1" atomRefs="Nucleoside-Monophosphates-atom11 Nucleoside-Monophosphates-atom13" order="1"/> <bond id="Nucleoside-Monophosphates-bond2" atomRefs="Nucleoside-Monophosphates-atom10 Nucleoside-Monophosphates-atom12" order="1"/> <bond id="Nucleoside-Monophosphates-bond3" atomRefs="Nucleoside-Monophosphates-atom10 Nucleoside-Monophosphates-atom11" order="1"/> <bond id="Nucleoside-Monophosphates-bond4" atomRefs="Nucleoside-Monophosphates-atom9 Nucleoside-Monophosphates-atom13" …

biopax-level3ChemicalStructure167736
structure data: <atom id="CPD-6-atom1" elementType="S" x2="4372.0" y2="-11874.0"/> <atom id="CPD-6-atom2" elementType="FE" x2="-4303.0" y2="-11874.0"/> <atom id="CPD-6-atom3" elementType="S" x2="-8872.0" y2="-5454.0"/> <atom id="CPD-6-atom4" elementType="FE" x2="-329.0" y2="-5454.0" formalCharge="-1"/> <bond id="CPD-6-bond1" atomRefs="CPD-6-atom1 CPD-6-atom4" order="1"/> <bond id="CPD-6-bond2" atomRefs="CPD-6-atom2 CPD-6-atom3" order="1"/> <bond id="CPD-6-bond3" atomRefs="CPD-6-atom3 CPD-6-atom4" order="1"/> <bond id="CPD-6-bond4" atomRefs="CPD-6-atom2 CPD-6-atom1" order="1"/> <formula concise="FE 2 S 2"/> 175.814 S1([Fe]S[Fe-]1)

CHEBI CHEBI:4636
structure data: InChI%3D1S%2FC17H21NO%2Fc1-18%282%2913-14-19-17%2815-9-5-3-6-10-15%2916-11-7-4-8-12-16%2Fh3-12%2C17H%2C13-14H2%2C1-2H3

biopax-level3ChemicalStructure139252
structure data: <atom id="NMNH-atom1" elementType="N" x2="0.0" y2="-1707.0"/> <atom id="NMNH-atom2" elementType="O" x2="714.0" y2="-470.0"/> <atom id="NMNH-atom3" elementType="O" x2="7234.0" y2="-2282.0"/> <atom id="NMNH-atom4" elementType="O" x2="5208.0" y2="0.0"/> <atom id="NMNH-atom5" elementType="O" x2="3413.0" y2="0.0"/> <atom id="NMNH-atom6" elementType="O" x2="7231.0" y2="-632.0" formalCharge="-1"/> <atom id="NMNH-atom7" elementType="C" x2="2144.0" y2="-2945.0"/> <atom id="NMNH-atom8" elementType="C" x2="1429.0" y2="-2532.0"/> <atom id="NMNH-atom9" elementType="C" x2="2858.0" y2="-2532.0"/> <atom id="NMNH-atom10" elementType="C" x2="2144.0" y2="-1295.0"/> <atom id="NMNH-atom11" elementType="C" x2="5691.0" y2="-1867.0"/> <atom id="NMNH-atom12" elementType="O" x2="6407.0" y2="-1457.0"/> <atom id="NMNH-atom13" elementType="O" x2="4310.0" y2="-1937.0"/> <atom id="NMNH-atom14" elementType="O" x2="8059.0" y2="-1456.0" formalCharge="-1"/> <atom id="NMNH-atom15" elementType="C" x2="714.0" y2="-1295.0"/> <atom id="NMNH-atom16" elementType="C" x2="1429.0" y2="-1707.0"/> <atom id="NMNH-atom17" elementType="C" x2="4723.0" y2="-668.0"/> <atom id="NMNH-atom18" elementType="C" x2="3898.0" y2="-668.0"/> <atom id="NMNH-atom19" elementType="C" x2="4978.0" y2="-1452.0"/> <atom id="NMNH-atom20" elementType="C" x2="3643.0" y2="-1452.0"/> <atom id="NMNH-atom21" elementType="N" x2="2858.0" y2="-1707.0"/> <atom id="NMNH-atom22" elementType="P" x2="7232.0" y2="-1457.0"/> <bond id="NMNH-bond1" atomRefs="NMNH-atom20 NMNH-atom21" order="1"/> <bond id="NMNH-bond2" atomRefs="NMNH-atom18 NMNH-atom20" order="1"/> <bond id="NMNH-bond3" atomRefs="NMNH-atom17 NMNH-atom19" order="1"/> <bond id="NMNH-bond4" atomRefs="NMNH-atom17 NMNH-atom18" order="1"/> <bond id="NMNH-bond5" atomRefs="NMNH-atom15 NMNH-atom16" order="1"/> <bond id="NMNH-bond6" atomRefs="NMNH-atom14 NMNH-atom22" order="1"/> <bond id="NMNH-bond7" atomRefs="NMNH-atom13 NMNH-atom20" order="1"/> <bond id="NMNH-bond8" atomRefs="NMNH-atom13 NMNH-atom19…

CHEBI CHEBI:63553
structure data: InChI%3D1S%2FC9H10O2%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7%2C10H%2C1H3

CHEBI CHEBI:20764
structure data: InChI%3D1S%2FC15H20O5%2Fc1-10%286-13%2818%2919%294-5-15%2820%2911%289-16%297-12%2817%298-14%2815%2C2%293%2Fh4-7%2C16%2C20H%2C8-9H2%2C1-3H3%2C%28H%2C18%2C19%29%2Fb5-4%2B%2C10-6-

CHEBI CHEBI:28113
structure data: InChI%3D1S%2FC30H52O%2Fc1-20%282%2910-9-11-21%283%2922-14-18-30%288%2924-12-13-25-27%284%2C5%2926%2831%2916-17-28%2825%2C6%2923%2824%2915-19-29%2822%2C30%297%2Fh20-22%2C25-26%2C31H%2C9-19H2%2C1-8H3%2Ft21-%2C22-%2C25%2B%2C26%2B%2C28-%2C29-%2C30%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure168875
structure data: <atom id="ALPHA-METHYL-TYROSINE-atom1" elementType="C" x2="-9847.0" y2="-7961.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom2" elementType="C" x2="-16991.0" y2="-3835.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom3" elementType="C" x2="-16991.0" y2="4415.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom4" elementType="C" x2="-9847.0" y2="8540.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom5" elementType="C" x2="-2702.0" y2="4415.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom6" elementType="C" x2="-2702.0" y2="-3835.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom7" elementType="C" x2="-9847.0" y2="-16211.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom8" elementType="C" x2="-2702.0" y2="-20336.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom9" elementType="C" x2="1423.0" y2="-13191.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom10" elementType="C" x2="4443.0" y2="-24461.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom11" elementType="O" x2="4443.0" y2="-32711.0" formalCharge="-1"/> <atom id="ALPHA-METHYL-TYROSINE-atom12" elementType="O" x2="11587.0" y2="-20336.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom13" elementType="O" x2="-9847.0" y2="16790.0"/> <atom id="ALPHA-METHYL-TYROSINE-atom14" elementType="N" x2="-6827.0" y2="-27480.0" formalCharge="1"/> <bond id="ALPHA-METHYL-TYROSINE-bond1" atomRefs="ALPHA-METHYL-TYROSINE-atom2 ALPHA-METHYL-TYROSINE-atom1" order="2"/> <bond id="ALPHA-METHYL-TYROSINE-bond2" atomRefs="ALPHA-METHYL-TYROSINE-atom1 ALPHA-METHYL-TYROSINE-atom6" order="1"/> <bond id="ALPHA-METHYL-TYROSINE-bond3" atomRefs="ALPHA-METHYL-TYROSINE-atom3 ALPHA-METHYL-TYROSINE-atom2" order="1"/> <bond id="ALPHA-METHYL-TYROSINE-bond4" atomRefs="ALPHA-METHYL-TYROSINE-atom4 ALPHA-METHYL-TYROSINE-atom3" order="2"/> <bond id="ALPHA-METHYL-TYROSINE-bond5" atomRefs="ALPHA-METHYL-TYROSINE-atom5 ALPHA-METHYL-TYROSINE-atom4" order="1"/> <bond id="ALPHA-METHYL-TYROSINE-bond6" atomRefs="ALPHA-METHYL-TYROSINE-atom6 ALPHA-METHYL-TYROSINE-atom5" order="2"/> <bond id="ALPHA-METHYL-TYROSINE-bond7" atomRefs="ALPHA-METHYL-TYROSINE-atom1 ALPHA-METH…

CHEBI CHEBI:63981
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-9-13-18%2821%2914-10-7-8-11-15-19%2822%2916-12-17-20%2823%2924%2Fh6-11%2C14-15%2C18-19%2C21-22H%2C2-5%2C12-13%2C16-17H2%2C1H3%2C%28H%2C23%2C24%29%2Fb8-7%2B%2C9-6-%2C14-10%2B%2C15-11%2B%2Ft18-%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure144299
structure data: <cml> <molecule id="Chondroitin-sulfate-GlcA2S" title="[chondroitin-sulfate]-2-O-sulfo-beta-D-glucuronate" formalCharge="-1"> <atomArray> <atom id="Chondroitin-sulfate-GlcA2S-atom1" elementType="O" x2="1308.0" y2="1170.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom2" elementType="O" x2="1164.0" y2="1170.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom3" elementType="O" x2="1308.0" y2="1334.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom4" elementType="O" x2="1165.0" y2="1417.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom5" elementType="O" x2="1021.0" y2="1086.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom6" elementType="O" x2="950.0" y2="1210.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom7" elementType="C" x2="1238.0" y2="1211.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom8" elementType="C" x2="1238.0" y2="1293.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom9" elementType="C" x2="1093.0" y2="1210.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom10" elementType="C" x2="1165.0" y2="1334.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom11" elementType="C" x2="1093.0" y2="1292.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom12" elementType="C" x2="1021.0" y2="1170.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom13" elementType="O" x2="1020.0" y2="1332.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom14" elementType="R1" x2="949.0" y2="1373.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom15" elementType="R2" x2="1380.0" y2="1127.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom16" elementType="S" x2="1390.0" y2="1334.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom17" elementType="O" x2="1473.0" y2="1334.0" formalCharge="-1"/> <atom id="Chondroitin-sulfate-GlcA2S-atom18" elementType="O" x2="1390.0" y2="1252.0"/> <atom id="Chondroitin-sulfate-GlcA2S-atom19" elementType="O" x2="1390.0" y2="1416.0"/> </atomArray> <bondArray> <bond id="Chondroitin-sulfate-GlcA2S-bond1" atomRefs="Chondroitin-sulfate-GlcA2S-atom7 Chondroitin-sulfate-GlcA2S-atom1" order="1"/> <bond id="Chondroitin-sulfate-GlcA2S-bond2…

biopax-level3ChemicalStructure160209
structure data: <cml> <molecule id="CPD-1101" title="N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" formalCharge="0" dictRef="dictCPD-1101"> <atomArray> <atom id="CPD-1101-atom1" elementType="C" x2="0.0" y2="-16879.0"/> <atom id="CPD-1101-atom2" elementType="C" x2="13398.0" y2="-1271.0"/> <atom id="CPD-1101-atom3" elementType="O" x2="12223.0" y2="-3297.0"/> <atom id="CPD-1101-atom4" elementType="O" x2="13556.0" y2="-14115.0"/> <atom id="CPD-1101-atom5" elementType="O" x2="5815.0" y2="-5430.0"/> <atom id="CPD-1101-atom6" elementType="O" x2="8170.0" y2="-9510.0"/> <atom id="CPD-1101-atom7" elementType="O" x2="11836.0" y2="-9994.0"/> <atom id="CPD-1101-atom8" elementType="O" x2="17522.0" y2="-15058.0"/> <atom id="CPD-1101-atom9" elementType="O" x2="5811.0" y2="-1371.0"/> <atom id="CPD-1101-atom10" elementType="O" x2="17537.0" y2="-8164.0"/> <atom id="CPD-1101-atom11" elementType="O" x2="8149.0" y2="0.0"/> <atom id="CPD-1101-atom12" elementType="O" x2="15196.0" y2="-6809.0"/> <atom id="CPD-1101-atom13" elementType="O" x2="8166.0" y2="-5451.0"/> <atom id="CPD-1101-atom14" elementType="O" x2="13080.0" y2="-5267.0"/> <atom id="CPD-1101-atom15" elementType="R" x2="12386.0" y2="-12090.0"/> <atom id="CPD-1101-atom16" elementType="C" x2="15200.0" y2="-16256.0"/> <atom id="CPD-1101-atom17" elementType="C" x2="15197.0" y2="-14903.0"/> <atom id="CPD-1101-atom18" elementType="C" x2="1170.0" y2="-16215.0"/> <atom id="CPD-1101-atom19" elementType="C" x2="14030.0" y2="-16920.0"/> <atom id="CPD-1101-atom20" elementType="C" x2="5815.0" y2="-4080.0"/> <atom id="CPD-1101-atom21" elementType="C" x2="8170.0" y2="-8160.0"/> <atom id="CPD-1101-atom22" elementType="C" x2="12862.0" y2="-10857.0"/> <atom id="CPD-1101-atom23" elementType="C" x2="2338.0" y2="-16886.0"/> <atom id="CPD-1101-atom24" elementType="C" x2="12861.0" y2="-16248.0"/> <atom id="CPD-1101-atom25" elementType="C" x2="3508.0" y2="-16222.0"/> <atom id="CPD-1101-atom26" elementType="C" x2="11691.0" y2="-16912.0"/> <at…

CHEBI CHEBI:19610
structure data: InChI%3D1S%2FC11H10O5%2Fc12-6-7-1-2-8%2810%2814%295-7%293-4-9%2813%2911%2815%2916%2Fh1-5%2C12%2C14H%2C6H2%2C%28H%2C15%2C16%29

biopax-level3ChemicalStructure143687
structure data: <atom id="Mannosyl9-Nacetylglucosaminyl2-atom1" elementType="C" x2="-3312.0" y2="-1753.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom2" elementType="O" x2="-3452.0" y2="-1710.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom3" elementType="O" x2="-3684.0" y2="-2078.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom4" elementType="O" x2="-3532.0" y2="-1758.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom5" elementType="C" x2="-3684.0" y2="-1995.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom6" elementType="N" x2="-3390.0" y2="-1849.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom7" elementType="O" x2="-3532.0" y2="-2004.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom8" elementType="C" x2="-3390.0" y2="-1767.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom9" elementType="C" x2="-3532.0" y2="-1840.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom10" elementType="C" x2="-3611.0" y2="-1959.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom11" elementType="C" x2="-3469.0" y2="-1968.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom12" elementType="C" x2="-3469.0" y2="-1885.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom13" elementType="C" x2="-3611.0" y2="-1877.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom14" elementType="O" x2="-3401.0" y2="-2014.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom15" elementType="O" x2="-3672.0" y2="-1830.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom16" elementType="C" x2="-3887.0" y2="-1789.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom17" elementType="C" x2="-3887.0" y2="-1706.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom18" elementType="C" x2="-3815.0" y2="-1665.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom19" elementType="C" x2="-3744.0" y2="-1706.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom20" elementType="C" x2="-3744.0" y2="-1789.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom21" elementType="C" x2="-3958.0" y2="-1830.0"/> <atom id="Mannosyl9-Nacetylglucosaminyl2-atom22" element…

CHEBI CHEBI:15743
structure data: InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3

biopax-level3ChemicalStructure150624
structure data: <atom id="CPD-11665-atom1" elementType="C" x2="-3830.0" y2="-5598.0"/> <atom id="CPD-11665-atom2" elementType="C" x2="-10975.0" y2="-1473.0"/> <atom id="CPD-11665-atom3" elementType="C" x2="-10975.0" y2="6777.0"/> <atom id="CPD-11665-atom4" elementType="C" x2="-3830.0" y2="10902.0"/> <atom id="CPD-11665-atom5" elementType="C" x2="11160.0" y2="-4023.0"/> <atom id="CPD-11665-atom6" elementType="C" x2="3314.0" y2="-1473.0"/> <atom id="CPD-11665-atom7" elementType="C" x2="3314.0" y2="6777.0"/> <atom id="CPD-11665-atom8" elementType="N" x2="11161.0" y2="9326.0"/> <atom id="CPD-11665-atom9" elementType="C" x2="16010.0" y2="2652.0"/> <atom id="CPD-11665-atom10" elementType="C" x2="13710.0" y2="-11869.0"/> <atom id="CPD-11665-atom11" elementType="C" x2="21780.0" y2="-13584.0"/> <atom id="CPD-11665-atom12" elementType="N" x2="24329.0" y2="-21431.0"/> <atom id="CPD-11665-atom13" elementType="O" x2="-18120.0" y2="-5598.0"/> <atom id="CPD-11665-atom14" elementType="S" x2="-24381.0" y2="-1179.0"/> <atom id="CPD-11665-atom15" elementType="O" x2="-31135.0" y2="3558.0"/> <atom id="CPD-11665-atom16" elementType="O" x2="-28526.0" y2="-8312.0"/> <atom id="CPD-11665-atom17" elementType="O" x2="-20460.0" y2="6080.0"/> <bond id="CPD-11665-bond1" atomRefs="CPD-11665-atom1 CPD-11665-atom2" order="2"/> <bond id="CPD-11665-bond2" atomRefs="CPD-11665-atom2 CPD-11665-atom3" order="1"/> <bond id="CPD-11665-bond3" atomRefs="CPD-11665-atom3 CPD-11665-atom4" order="2"/> <bond id="CPD-11665-bond4" atomRefs="CPD-11665-atom4 CPD-11665-atom7" order="1"/> <bond id="CPD-11665-bond5" atomRefs="CPD-11665-atom1 CPD-11665-atom6" order="1"/> <bond id="CPD-11665-bond6" atomRefs="CPD-11665-atom5 CPD-11665-atom6" order="1"/> <bond id="CPD-11665-bond7" atomRefs="CPD-11665-atom7 CPD-11665-atom8" order="1"/> <bond id="CPD-11665-bond8" atomRefs="CPD-11665-atom8 CPD-11665-atom9" order="1"/> <bond id="CPD-11665-bond9" atomRefs="CPD-11665-atom5 CPD-11665-atom9" order="2"/> <bond id="CPD-11665-bond10" atomRefs="CPD-116…

biopax-level3ChemicalStructure139457
structure data: <atom id="CPD-12365-atom1" elementType="N" x2="4784.0" y2="-2998.0"/> <atom id="CPD-12365-atom2" elementType="O" x2="6205.0" y2="-5466.0"/> <atom id="CPD-12365-atom3" elementType="O" x2="4109.0" y2="-1980.0"/> <atom id="CPD-12365-atom4" elementType="O" x2="6085.0" y2="0.0"/> <atom id="CPD-12365-atom5" elementType="O" x2="4107.0" y2="-338.0" formalCharge="-1"/> <atom id="CPD-12365-atom6" elementType="C" x2="8198.0" y2="-3816.0"/> <atom id="CPD-12365-atom7" elementType="C" x2="5542.0" y2="-1704.0"/> <atom id="CPD-12365-atom8" elementType="C" x2="7395.0" y2="-662.0"/> <atom id="CPD-12365-atom9" elementType="N" x2="7717.0" y2="-4490.0"/> <atom id="CPD-12365-atom10" elementType="N" x2="6208.0" y2="-2986.0"/> <atom id="CPD-12365-atom11" elementType="O" x2="4929.0" y2="-1158.0"/> <atom id="CPD-12365-atom12" elementType="O" x2="6980.0" y2="-1925.0"/> <atom id="CPD-12365-atom13" elementType="O" x2="3288.0" y2="-1159.0" formalCharge="-1"/> <atom id="CPD-12365-atom14" elementType="C" x2="5497.0" y2="-3405.0"/> <atom id="CPD-12365-atom15" elementType="C" x2="6208.0" y2="-4645.0"/> <atom id="CPD-12365-atom16" elementType="C" x2="6928.0" y2="-4235.0"/> <atom id="CPD-12365-atom17" elementType="C" x2="6928.0" y2="-3405.0"/> <atom id="CPD-12365-atom18" elementType="C" x2="6570.0" y2="-662.0"/> <atom id="CPD-12365-atom19" elementType="C" x2="6321.0" y2="-1448.0"/> <atom id="CPD-12365-atom20" elementType="C" x2="7648.0" y2="-1448.0"/> <atom id="CPD-12365-atom21" elementType="N" x2="5497.0" y2="-4235.0"/> <atom id="CPD-12365-atom22" elementType="N" x2="7715.0" y2="-3157.0"/> <atom id="CPD-12365-atom23" elementType="P" x2="4108.0" y2="-1159.0"/> <atom id="CPD-12365-atom24" elementType="O" x2="9023.0" y2="-3816.0"/> <bond id="CPD-12365-bond1" atomRefs="CPD-12365-atom20 CPD-12365-atom22" order="1"/> <bond id="CPD-12365-bond2" atomRefs="CPD-12365-atom18 CPD-12365-atom19" order="1"/> <bond id="CPD-12365-bond3" atomRefs="CPD-12365-atom17 CPD-12365-atom22" order="1"/> <bond id="CPD-12365-bond…

CHEBI CHEBI:30322
structure data: InChI%3D1S%2FC5H9NO2%2Fc1-5%288%296-3-2-4-7%2Fh4H%2C2-3H2%2C1H3%2C%28H%2C6%2C8%29

biopax-level3ChemicalStructure171671
structure data: <cml> <molecule id="Ubiquinones" title="a ubiquinone" formalCharge="0" dictRef="dictUbiquinones"> <atomArray> <atom id="Ubiquinones-atom1" elementType="C" x2="-18881.0" y2="-39361.0"/> <atom id="Ubiquinones-atom2" elementType="C" x2="-26025.0" y2="-35236.0"/> <atom id="Ubiquinones-atom3" elementType="C" x2="-26025.0" y2="-26986.0"/> <atom id="Ubiquinones-atom4" elementType="C" x2="-18881.0" y2="-22861.0"/> <atom id="Ubiquinones-atom5" elementType="C" x2="-11737.0" y2="-26986.0"/> <atom id="Ubiquinones-atom6" elementType="C" x2="-11737.0" y2="-35236.0"/> <atom id="Ubiquinones-atom7" elementType="O" x2="-18881.0" y2="-47611.0"/> <atom id="Ubiquinones-atom8" elementType="O" x2="-18881.0" y2="-14612.0"/> <atom id="Ubiquinones-atom9" elementType="O" x2="-33170.0" y2="-22861.0"/> <atom id="Ubiquinones-atom10" elementType="O" x2="-33170.0" y2="-39361.0"/> <atom id="Ubiquinones-atom11" elementType="C" x2="-40315.0" y2="-26986.0"/> <atom id="Ubiquinones-atom12" elementType="C" x2="-40315.0" y2="-35236.0"/> <atom id="Ubiquinones-atom13" elementType="C" x2="-4592.0" y2="-39361.0"/> <atom id="Ubiquinones-atom14" elementType="C" x2="-4592.0" y2="-22861.0"/> <atom id="Ubiquinones-atom15" elementType="C" x2="2552.0" y2="-26986.0"/> <atom id="Ubiquinones-atom16" elementType="C" x2="9697.0" y2="-22861.0"/> <atom id="Ubiquinones-atom17" elementType="C" x2="16841.0" y2="-26986.0"/> <atom id="Ubiquinones-atom18" elementType="R" x2="23985.0" y2="-22861.0"/> <atom id="Ubiquinones-atom19" elementType="C" x2="9697.0" y2="-14612.0"/> </atomArray> <bondArray> <bond id="Ubiquinones-bond1" atomRefs="Ubiquinones-atom1 Ubiquinones-atom2" order="1"/> <bond id="Ubiquinones-bond2" atomRefs="Ubiquinones-atom2 Ubiquinones-atom3" order="2"/> <bond id="Ubiquinones-bond3" atomRefs="Ubiquinones-atom3 Ubiquinones-atom4" order="1"/> <bond id="Ubiquinones-bond4" atomRefs="Ubiquinones-atom4 Ubiquinones-atom5" order="1"/> <bond id="Ubiquinones-bond5" atomRefs="Ubiquinones-atom5 Ubiquinones-atom6" order="2"/> …

biopax-level3ChemicalStructure160080
structure data: <atom id="CPD-166-atom1" elementType="C" x2="287060.0" y2="90000.0"/> <atom id="CPD-166-atom2" elementType="C" x2="215620.0" y2="131250.0"/> <atom id="CPD-166-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-166-atom4" elementType="C" x2="215620.0" y2="213740.0"/> <atom id="CPD-166-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-166-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-166-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-166-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-166-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-166-atom10" elementType="C" x2="1280.0" y2="-239990.0"/> <atom id="CPD-166-atom11" elementType="C" x2="-70160.0" y2="-363740.0"/> <atom id="CPD-166-atom12" elementType="C" x2="-70160.0" y2="-281240.0"/> <atom id="CPD-166-atom13" elementType="C" x2="1280.0" y2="-404990.0"/> <atom id="CPD-166-atom14" elementType="C" x2="-141610.0" y2="-404990.0"/> <atom id="CPD-166-atom15" elementType="C" x2="-427390.0" y2="-734980.0"/> <atom id="CPD-166-atom16" elementType="C" x2="-355940.0" y2="-776230.0"/> <atom id="CPD-166-atom17" elementType="C" x2="-498840.0" y2="-776230.0"/> <atom id="CPD-166-atom18" elementType="C" x2="-427390.0" y2="-652480.0"/> <atom id="CPD-166-atom19" elementType="C" x2="-213050.0" y2="-528740.0"/> <atom id="CPD-166-atom20" elementType="C" x2="-141610.0" y2="-487490.0"/> <atom id="CPD-166-atom21" elementType="C" x2="-213050.0" y2="-611230.0"/> <atom id="CPD-166-atom22" elementType="C" x2="-141610.0" y2="-652480.0"/> <atom id="CPD-166-atom23" elementType="C" x2="-284490.0" y2="-652480.0"/> <atom id="CPD-166-atom24" elementType="C" x2="-355940.0" y2="-611230.0"/> <atom id="CPD-166-atom25" elementType="C" x2="-641720.0" y2="-776230.0"/> <atom id="CPD-166-atom26" elementType="C" x2="-570270.0" y2="-734980.0"/> <atom id="CPD-166-atom27" elementType="C" x2="-641720.0" y2="-858730.0"/> <atom id="CPD-166-atom28" elementType="C" …

biopax-level3ChemicalStructure142004
structure data: <atom id="CPD-13320-atom1" elementType="N" x2="-714.0" y2="-412.0"/> <atom id="CPD-13320-atom2" elementType="C" x2="-714.0" y2="412.0"/> <atom id="CPD-13320-atom3" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-13320-atom4" elementType="C" x2="714.0" y2="412.0"/> <atom id="CPD-13320-atom5" elementType="C" x2="0.0" y2="-825.0"/> <atom id="CPD-13320-atom6" elementType="N" x2="0.0" y2="825.0"/> <atom id="CPD-13320-atom7" elementType="N" x2="1499.0" y2="-667.0"/> <atom id="CPD-13320-atom8" elementType="N" x2="0.0" y2="-1650.0"/> <atom id="CPD-13320-atom9" elementType="C" x2="1984.0" y2="0.0"/> <atom id="CPD-13320-atom10" elementType="N" x2="1499.0" y2="667.0"/> <atom id="CPD-13320-atom11" elementType="C" x2="1499.0" y2="-1492.0"/> <bond id="CPD-13320-bond1" atomRefs="CPD-13320-atom1 CPD-13320-atom2" order="2"/> <bond id="CPD-13320-bond2" atomRefs="CPD-13320-atom3 CPD-13320-atom7" order="1"/> <bond id="CPD-13320-bond3" atomRefs="CPD-13320-atom3 CPD-13320-atom4" order="1"/> <bond id="CPD-13320-bond4" atomRefs="CPD-13320-atom4 CPD-13320-atom10" order="1"/> <bond id="CPD-13320-bond5" atomRefs="CPD-13320-atom5 CPD-13320-atom1" order="1"/> <bond id="CPD-13320-bond6" atomRefs="CPD-13320-atom3 CPD-13320-atom5" order="2"/> <bond id="CPD-13320-bond7" atomRefs="CPD-13320-atom5 CPD-13320-atom8" order="1"/> <bond id="CPD-13320-bond8" atomRefs="CPD-13320-atom6 CPD-13320-atom2" order="1"/> <bond id="CPD-13320-bond9" atomRefs="CPD-13320-atom4 CPD-13320-atom6" order="2"/> <bond id="CPD-13320-bond10" atomRefs="CPD-13320-atom7 CPD-13320-atom9" order="1"/> <bond id="CPD-13320-bond11" atomRefs="CPD-13320-atom10 CPD-13320-atom9" order="2"/> <bond id="CPD-13320-bond12" atomRefs="CPD-13320-atom7 CPD-13320-atom11" order="1"/> <formula concise="H 7 C 6 N 5"/> 149.155 C12(=NC=NC(N)=C1N(C)C=N2)

CHEBI CHEBI:17232
structure data: InChI%3D1S%2FC5H9NO3%2Fc6-4%285%288%299%292-1-3-7%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:27981
structure data: InChI%3D1S%2FC9H6N2O8%2Fc12-7%289%2814%2915%293-4-1-5%2810%2816%2917%298%2813%296%282-4%2911%2818%2919%2Fh1-2%2C13H%2C3H2%2C%28H%2C14%2C15%29

biopax-level3ChemicalStructure164748
structure data: <cml> <molecule id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS" title="a protein L-beta-isoaspartate alpha-methyl ester" formalCharge="0" dictRef="dictPROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS"> <atomArray> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom1" elementType="C" x2="-5643.0" y2="-3852.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom2" elementType="C" x2="1501.0" y2="8523.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom3" elementType="Protein" x2="8646.0" y2="-3852.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom4" elementType="C" x2="-5643.0" y2="4398.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom5" elementType="C" x2="1501.0" y2="-7977.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom6" elementType="O" x2="1501.0" y2="-16227.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom7" elementType="N" x2="-12788.0" y2="8523.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom8" elementType="Protein" x2="-23214.0" y2="3794.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom9" elementType="O" x2="1501.0" y2="16773.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom10" elementType="O" x2="9158.0" y2="5452.0"/> <atom id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom11" elementType="C" x2="17408.0" y2="5452.0"/> </atomArray> <bondArray> <bond id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-bond1" atomRefs="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom10 PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom11" order="1"/> <bond id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-bond2" atomRefs="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom5 PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom1" order="1"/> <bond id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-bond3" atomRefs="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom5 PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom3" order="1"/> <bond id="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-bond4" atomRefs="PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS-atom1 PR…

CHEBI CHEBI:60319
structure data: InChI%3D1S%2FC29H56NO9P%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28%2832%2936-25-27%2839-29%2833%2921-18-19-23-31%2926-38-40%2834%2C35%2937-24-22-30%282%2C3%294%2Fh23%2C27H%2C5-22%2C24-26H2%2C1-4H3%2Fp%2B1%2Ft27-%2Fm1%2Fs1

CHEBI CHEBI:52455
structure data: InChI%3D1S%2FPb%2Fi1%2B0

CHEBI CHEBI:51057
structure data: InChI%3D1S%2FC9H10O2%2Fc10-9%2811%297-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H%2C10%2C11%29%2Fp-1

CHEBI CHEBI:41198
structure data: InChI%3D1S%2FC12H11N3O5%2Fc16-11%2817%296-2-5-10-13-12%2814-20-10%298-3-1-4-9%287-8%2915%2818%2919%2Fh1%2C3-4%2C7H%2C2%2C5-6H2%2C%28H%2C16%2C17%29

CHEBI CHEBI:61726
structure data: InChI%3D1S%2FC9H16O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh7-9H%2C2-6H2%2C1H3

CHEBI CHEBI:16708
structure data: InChI%3D1S%2FC5H5N5%2Fc6-4-3-5%289-1-7-3%2910-2-8-4%2Fh1-2H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29

biopax-level3ChemicalStructure135573
structure data: <atom id="N-ACETYL-D-MANNOSAMINE-atom1" elementType="O" x2="-17157.0" y2="-8622.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom2" elementType="C" x2="-24301.0" y2="-4496.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom3" elementType="C" x2="-24301.0" y2="3754.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom4" elementType="C" x2="-17157.0" y2="7879.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom5" elementType="C" x2="-10012.0" y2="3754.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom6" elementType="C" x2="-10012.0" y2="-4496.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom7" elementType="O" x2="-2867.0" y2="-8621.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom8" elementType="N" x2="-2867.0" y2="7879.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom9" elementType="C" x2="-2501.0" y2="16121.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom10" elementType="C" x2="4819.0" y2="19925.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom11" elementType="O" x2="-9456.0" y2="20558.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom12" elementType="O" x2="-17157.0" y2="16129.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom13" elementType="O" x2="-31446.0" y2="7879.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom14" elementType="C" x2="-31446.0" y2="-8621.0"/> <atom id="N-ACETYL-D-MANNOSAMINE-atom15" elementType="O" x2="-38591.0" y2="-4496.0"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond1" atomRefs="N-ACETYL-D-MANNOSAMINE-atom1 N-ACETYL-D-MANNOSAMINE-atom2" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond2" atomRefs="N-ACETYL-D-MANNOSAMINE-atom1 N-ACETYL-D-MANNOSAMINE-atom6" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond3" atomRefs="N-ACETYL-D-MANNOSAMINE-atom2 N-ACETYL-D-MANNOSAMINE-atom3" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond4" atomRefs="N-ACETYL-D-MANNOSAMINE-atom3 N-ACETYL-D-MANNOSAMINE-atom4" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond5" atomRefs="N-ACETYL-D-MANNOSAMINE-atom4 N-ACETYL-D-MANNOSAMINE-atom5" order="1"/> <bond id="N-ACETYL-D-MANNOSAMINE-bond6" atomRefs="N-ACETYL-D-MANNOSAMINE-atom5 N-ACETYL-D-MANNOSAMINE-atom6" order="1"/> <bon…

CHEBI CHEBI:18421
structure data: InChI%3D1S%2FHO2%2Fc1-2%2Fh1H%2Fp-1

biopax-level3ChemicalStructure135614
structure data: <cml> <molecule id="CPD-270" title="an N-acyl-D-glucosamine" formalCharge="0" dictRef="dictCPD-270"> <atomArray> <atom id="CPD-270-atom1" elementType="O" x2="4730.0" y2="893.0"/> <atom id="CPD-270-atom2" elementType="N" x2="4730.0" y2="2394.0"/> <atom id="CPD-270-atom3" elementType="O" x2="3425.0" y2="3142.0"/> <atom id="CPD-270-atom4" elementType="O" x2="2133.0" y2="2394.0"/> <atom id="CPD-270-atom5" elementType="O" x2="3425.0" y2="893.0"/> <atom id="CPD-270-atom6" elementType="O" x2="1558.0" y2="1377.0"/> <atom id="CPD-270-atom7" elementType="C" x2="4080.0" y2="1267.0"/> <atom id="CPD-270-atom8" elementType="C" x2="4080.0" y2="2020.0"/> <atom id="CPD-270-atom9" elementType="C" x2="3425.0" y2="2394.0"/> <atom id="CPD-270-atom10" elementType="C" x2="2775.0" y2="2020.0"/> <atom id="CPD-270-atom11" elementType="C" x2="2775.0" y2="1267.0"/> <atom id="CPD-270-atom12" elementType="C" x2="2133.0" y2="893.0"/> <atom id="CPD-270-atom13" elementType="C" x2="4731.0" y2="3144.0"/> <atom id="CPD-270-atom14" elementType="O" x2="4082.0" y2="3520.0"/> <atom id="CPD-270-atom15" elementType="R" x2="5381.0" y2="3518.0"/> </atomArray> <bondArray> <bond id="CPD-270-bond1" atomRefs="CPD-270-atom13 CPD-270-atom15" order="1"/> <bond id="CPD-270-bond2" atomRefs="CPD-270-atom13 CPD-270-atom14" order="2"/> <bond id="CPD-270-bond3" atomRefs="CPD-270-atom2 CPD-270-atom13" order="1"/> <bond id="CPD-270-bond4" atomRefs="CPD-270-atom10 CPD-270-atom4" order="1"/> <bond id="CPD-270-bond5" atomRefs="CPD-270-atom9 CPD-270-atom3" order="1"/> <bond id="CPD-270-bond6" atomRefs="CPD-270-atom8 CPD-270-atom2" order="1"/> <bond id="CPD-270-bond7" atomRefs="CPD-270-atom7 CPD-270-atom1" order="1"/> <bond id="CPD-270-bond8" atomRefs="CPD-270-atom11 CPD-270-atom12" order="1"/> <bond id="CPD-270-bond9" atomRefs="CPD-270-atom10 CPD-270-atom11" order="1"/> <bond id="CPD-270-bond10" atomRefs="CPD-270-atom9 CPD-270-atom10" order="1"/> <bond id="CPD-270-bond11" atomRefs="CPD-270-atom8 CPD-270-atom9" order="1"/> <bond…

biopax-level3ChemicalStructure141184
structure data: <cml> <molecule id="Glucosyl-Cermaides" title="a D-glucosyl-N-acylsphingosine" formalCharge="0" dictRef="dictGlucosyl-Cermaides"> <atomArray> <atom id="Glucosyl-Cermaides-atom1" elementType="O" x2="745.0" y2="2185.0"/> <atom id="Glucosyl-Cermaides-atom2" elementType="C" x2="814.0" y2="2143.0"/> <atom id="Glucosyl-Cermaides-atom3" elementType="C" x2="814.0" y2="2063.0"/> <atom id="Glucosyl-Cermaides-atom4" elementType="C" x2="885.0" y2="2185.0"/> <atom id="Glucosyl-Cermaides-atom5" elementType="O" x2="885.0" y2="2022.0"/> <atom id="Glucosyl-Cermaides-atom6" elementType="C" x2="745.0" y2="2022.0"/> <atom id="Glucosyl-Cermaides-atom7" elementType="C" x2="955.0" y2="2143.0"/> <atom id="Glucosyl-Cermaides-atom8" elementType="O" x2="882.0" y2="2265.0"/> <atom id="Glucosyl-Cermaides-atom9" elementType="C" x2="955.0" y2="2063.0"/> <atom id="Glucosyl-Cermaides-atom10" elementType="O" x2="1026.0" y2="2185.0"/> <atom id="Glucosyl-Cermaides-atom11" elementType="O" x2="1026.0" y2="2022.0"/> <atom id="Glucosyl-Cermaides-atom12" elementType="C" x2="1099.0" y2="2063.0"/> <atom id="Glucosyl-Cermaides-atom13" elementType="C" x2="1168.0" y2="2019.0"/> <atom id="Glucosyl-Cermaides-atom14" elementType="C" x2="1240.0" y2="2060.0"/> <atom id="Glucosyl-Cermaides-atom15" elementType="N" x2="1168.0" y2="1938.0"/> <atom id="Glucosyl-Cermaides-atom16" elementType="C" x2="1312.0" y2="2019.0"/> <atom id="Glucosyl-Cermaides-atom17" elementType="O" x2="1243.0" y2="2145.0"/> <atom id="Glucosyl-Cermaides-atom18" elementType="C" x2="1237.0" y2="1894.0"/> <atom id="Glucosyl-Cermaides-atom19" elementType="C" x2="1384.0" y2="2060.0"/> <atom id="Glucosyl-Cermaides-atom20" elementType="O" x2="1237.0" y2="1813.0"/> <atom id="Glucosyl-Cermaides-atom21" elementType="R" x2="1309.0" y2="1935.0"/> <atom id="Glucosyl-Cermaides-atom22" elementType="C" x2="1456.0" y2="2016.0"/> <atom id="Glucosyl-Cermaides-atom23" elementType="C" x2="1527.0" y2="2057.0"/> <atom id="Glucosyl-Cermaides-atom24" elementType="C" x2="16…

biopax-level3ChemicalStructure150954
structure data: <cml> <molecule id="Organo-Sulfates" title="an organosulfate" formalCharge="-1" dictRef="dictOrgano-Sulfates"> <atomArray> <atom id="Organo-Sulfates-atom1" elementType="O" x2="-9723.0" y2="-15027.0"/> <atom id="Organo-Sulfates-atom2" elementType="S" x2="-17973.0" y2="-15027.0"/> <atom id="Organo-Sulfates-atom3" elementType="O" x2="-26223.0" y2="-15027.0" formalCharge="-1"/> <atom id="Organo-Sulfates-atom4" elementType="O" x2="-17973.0" y2="-6777.0"/> <atom id="Organo-Sulfates-atom5" elementType="O" x2="-17973.0" y2="-23277.0"/> <atom id="Organo-Sulfates-atom6" elementType="R" x2="-1473.0" y2="-15027.0"/> </atomArray> <bondArray> <bond id="Organo-Sulfates-bond1" atomRefs="Organo-Sulfates-atom1 Organo-Sulfates-atom2" order="1"/> <bond id="Organo-Sulfates-bond2" atomRefs="Organo-Sulfates-atom2 Organo-Sulfates-atom3" order="1"/> <bond id="Organo-Sulfates-bond3" atomRefs="Organo-Sulfates-atom2 Organo-Sulfates-atom4" order="2"/> <bond id="Organo-Sulfates-bond4" atomRefs="Organo-Sulfates-atom2 Organo-Sulfates-atom5" order="2"/> <bond id="Organo-Sulfates-bond5" atomRefs="Organo-Sulfates-atom1 Organo-Sulfates-atom6" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">O([R])S(=O)(=O)[O-]</string> </molecule> </cml>

CHEBI CHEBI:17572
structure data: InChI%3D1S%2FC5H9NO3%2Fc6-3-1-2-4%287%295%288%299%2Fh1-3%2C6H2%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:50861
structure data: InChI%3D1S%2FC23H34O5%2Fc1-2-3-4-7-17%2824%299-10-18-19-11-15-6-5-8-22%2828-14-23%2826%2927%2920%2815%2912-16%2819%2913-21%2818%2925%2Fh5-6%2C8%2C16-19%2C21%2C24-25H%2C2-4%2C7%2C9-14H2%2C1H3%2C%28H%2C26%2C27%29%2Ft16-%2C17-%2C18%2B%2C19-%2C21%2B%2Fm0%2Fs1

CHEBI CHEBI:63900
structure data: InChI%3D1S%2FC16H32O4%2Fc17-13-11-9-7-5-3-1-2-4-6-8-10-12-15%2818%2914-16%2819%2920%2Fh15%2C17-18H%2C1-14H2%2C%28H%2C19%2C20%29

biopax-level3ChemicalStructure163036
structure data: <cml> <molecule id="N-TETRADECANOYLGLYCYL-PEPTIDE" title="N-tetradecanoylglycyl-peptide" formalCharge="0" dictRef="dictN-TETRADECANOYLGLYCYL-PEPTIDE"> <atomArray> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom1" elementType="C" x2="60622.0" y2="-82599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom2" elementType="N" x2="84328.0" y2="-39402.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom3" elementType="O" x2="140850.0" y2="-10448.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom4" elementType="O" x2="96070.0" y2="-60651.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom5" elementType="O" x2="94434.0" y2="-1676.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom6" elementType="O" x2="130998.0" y2="-34352.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom7" elementType="R" x2="118514.0" y2="0.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom8" elementType="C" x2="48497.0" y2="-75599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom9" elementType="C" x2="36373.0" y2="-82599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom10" elementType="C" x2="24249.0" y2="-75599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom11" elementType="C" x2="12124.0" y2="-82599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom12" elementType="C" x2="0.0" y2="-75599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom13" elementType="C" x2="0.0" y2="-61599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom14" elementType="C" x2="12124.0" y2="-54599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom15" elementType="C" x2="24249.0" y2="-61599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom16" elementType="C" x2="36373.0" y2="-54599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom17" elementType="C" x2="48497.0" y2="-61599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom18" elementType="C" x2="60622.0" y2="-54599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom19" elementType="C" x2="72746.0" y2="-61599.0"/> <atom id="N-TETRADECANOYLGLYCYL-PEPTIDE-atom20" elementType="N" x2="106945.0" y2="-21934.0…

biopax-level3ChemicalStructure173937
structure data: <atom id="CPD-3190-atom1" elementType="N" x2="5001.0" y2="-1650.0"/> <atom id="CPD-3190-atom2" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="CPD-3190-atom3" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3190-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3190-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3190-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3190-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3190-atom8" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3190-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3190-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3190-atom11" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3190-atom12" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-3190-atom13" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="CPD-3190-bond1" atomRefs="CPD-3190-atom12 CPD-3190-atom13" order="1"/> <bond id="CPD-3190-bond2" atomRefs="CPD-3190-atom9 CPD-3190-atom12" order="1"/> <bond id="CPD-3190-bond3" atomRefs="CPD-3190-atom8 CPD-3190-atom11" order="1"/> <bond id="CPD-3190-bond4" atomRefs="CPD-3190-atom8 CPD-3190-atom9" order="1"/> <bond id="CPD-3190-bond5" atomRefs="CPD-3190-atom13 CPD-3190-atom7" order="2"/> <bond id="CPD-3190-bond6" atomRefs="CPD-3190-atom7 CPD-3190-atom10" order="1"/> <bond id="CPD-3190-bond7" atomRefs="CPD-3190-atom6 CPD-3190-atom13" order="1"/> <bond id="CPD-3190-bond8" atomRefs="CPD-3190-atom10 CPD-3190-atom5" order="2"/> <bond id="CPD-3190-bond9" atomRefs="CPD-3190-atom4 CPD-3190-atom6" order="2"/> <bond id="CPD-3190-bond10" atomRefs="CPD-3190-atom5 CPD-3190-atom4" order="1"/> <bond id="CPD-3190-bond11" atomRefs="CPD-3190-atom3 CPD-3190-atom12" order="2"/> <bond id="CPD-3190-bond12" atomRefs="CPD-3190-atom2 CPD-3190-atom11" order="2"/> <bond id="CPD-3190-bond13" atomRefs="CPD-3190-atom1 CPD-3190-atom11" order="1"/> <formula concise="H 10 C 9 O 2 N 2"/> 178.19 C1(N=CC=CC=1C(=O)CCC(N)=O)

CHEBI CHEBI:29105
structure data: InChI%3D1S%2FZn%2Fq%2B2

CHEBI CHEBI:7940
structure data: InChI%3D1S%2FC15H26O%2Fc1-10-5-8-15%2816%2913%282%2C3%2911-6-7-14%2815%2C4%2912%2810%299-11%2Fh10-12%2C16H%2C5-9H2%2C1-4H3%2Ft10-%2C11%2B%2C12-%2C14-%2C15%2B%2Fm0%2Fs1

CHEBI CHEBI:36242
structure data: InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-4%2C10H%2C5H2%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:15441
structure data: InChI%3D1S%2FC30H50O%2Fc1-24%282%2914-11-17-27%285%2920-12-18-25%283%2915-9-10-16-26%284%2919-13-21-28%286%2922-23-29-30%287%2C8%2931-29%2Fh14-16%2C20-21%2C29H%2C9-13%2C17-19%2C22-23H2%2C1-8H3%2Fb25-15%2B%2C26-16%2B%2C27-20%2B%2C28-21%2B%2Ft29-%2Fm0%2Fs1

CHEBI CHEBI:10352
structure data: InChI%3D1S%2FC30H50O%2Fc1-25%282%2915-16-27%285%2917-18-29%287%2920%2821%2827%2919-25%299-10-23-28%286%2913-12-24%2831%2926%283%2C4%2922%2828%2911-14-30%2823%2C29%298%2Fh9%2C21-24%2C31H%2C10-19H2%2C1-8H3%2Ft21-%2C22-%2C23%2B%2C24-%2C27%2B%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

CHEBI CHEBI:15724
structure data: InChI%3D1S%2FC3H9NO%2Fc1-4%282%2C3%295%2Fh1-3H3

CHEBI CHEBI:15888
structure data: InChI%3D1S%2FC6H10O3%2Fc1-5%287%293-2-4-6%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure151073
structure data: <atom id="CPD-8123-atom1" elementType="C" x2="-97300.0" y2="-630.0"/> <atom id="CPD-8123-atom2" elementType="C" x2="-97300.0" y2="81880.0"/> <atom id="CPD-8123-atom3" elementType="C" x2="45590.0" y2="-630.0"/> <atom id="CPD-8123-atom4" elementType="C" x2="45590.0" y2="81880.0"/> <atom id="CPD-8123-atom5" elementType="C" x2="-240180.0" y2="81880.0"/> <atom id="CPD-8123-atom6" elementType="C" x2="188460.0" y2="-630.0"/> <atom id="CPD-8123-atom7" elementType="C" x2="188460.0" y2="81880.0"/> <atom id="CPD-8123-atom8" elementType="C" x2="259910.0" y2="123130.0"/> <atom id="CPD-8123-atom9" elementType="N" x2="-240180.0" y2="-630.0"/> <atom id="CPD-8123-atom10" elementType="N" x2="-168730.0" y2="123130.0"/> <atom id="CPD-8123-atom11" elementType="C" x2="-168730.0" y2="-41880.0"/> <atom id="CPD-8123-atom12" elementType="O" x2="-168730.0" y2="-124380.0"/> <atom id="CPD-8123-atom13" elementType="N" x2="-311620.0" y2="123130.0"/> <atom id="CPD-8123-atom14" elementType="N" x2="-25860.0" y2="-41880.0"/> <atom id="CPD-8123-atom15" elementType="N" x2="-25860.0" y2="123130.0"/> <atom id="CPD-8123-atom16" elementType="O" x2="117040.0" y2="123130.0"/> <atom id="CPD-8123-atom17" elementType="C" x2="117040.0" y2="-41880.0"/> <atom id="CPD-8123-atom18" elementType="S" x2="117040.0" y2="-124380.0"/> <atom id="CPD-8123-atom19" elementType="S" x2="259910.0" y2="-41880.0"/> <atom id="CPD-8123-atom20" elementType="O" x2="331360.0" y2="81880.0"/> <atom id="CPD-8123-atom21" elementType="P" x2="402800.0" y2="123130.0"/> <atom id="CPD-8123-atom22" elementType="O" x2="444050.0" y2="51680.0" formalCharge="-1"/> <atom id="CPD-8123-atom23" elementType="O" x2="474250.0" y2="164370.0"/> <atom id="CPD-8123-atom24" elementType="O" x2="361550.0" y2="194550.0" formalCharge="-1"/> <atom id="CPD-8123-atom25" elementType="O" x2="317170.0" y2="-180710.0"/> <atom id="CPD-8123-atom26" elementType="O" x2="231230.0" y2="-241850.0"/> <atom id="CPD-8123-atom27" elementType="MO" x2="231230.0" y2="-159370.0"/> <bond …

CHEBI CHEBI:17154
structure data: InChI%3D1S%2FC6H6N2O%2Fc7-6%289%295-2-1-3-8-4-5%2Fh1-4H%2C%28H2%2C7%2C9%29

CHEBI CHEBI:58400
structure data: InChI%3D1S%2FC20H38O3%2Fc1-15%282%299-6-10-16%283%2911-7-12-17%284%2913-8-14-18%285%2919%2821%2920%2822%2923%2Fh15-18H%2C6-14H2%2C1-5H3%2C%28H%2C22%2C23%29%2Fp-1

biopax-level3ChemicalStructure171692
structure data: <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom1" elementType="O" x2="13796.0" y2="-1650.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom2" elementType="C" x2="13796.0" y2="-825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom3" elementType="C" x2="14511.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom4" elementType="C" x2="13082.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom5" elementType="C" x2="14511.0" y2="412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom6" elementType="C" x2="15225.0" y2="-825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom7" elementType="C" x2="12367.0" y2="-825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom8" elementType="C" x2="13082.0" y2="412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom9" elementType="C" x2="13796.0" y2="825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom10" elementType="C" x2="15225.0" y2="825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom11" elementType="C" x2="15940.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom12" elementType="C" x2="11653.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom13" elementType="C" x2="12367.0" y2="825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom14" elementType="O" x2="13796.0" y2="1650.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom15" elementType="C" x2="15940.0" y2="412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom16" elementType="C" x2="10939.0" y2="-825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom17" elementType="C" x2="10224.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom18" elementType="C" x2="10939.0" y2="-1650.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom19" elementType="C" x2="9510.0" y2="-825.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom20" elementType="C" x2="8795.0" y2="-412.0"/> <atom id="2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE-atom21" elementType="C" x2="8…

biopax-level3ChemicalStructure161168
structure data: <atom id="Heparan-NAc-glucosaminide-atom1" elementType="O" x2="-2571.0" y2="1458.0"/> <atom id="Heparan-NAc-glucosaminide-atom2" elementType="O" x2="-4008.0" y2="1458.0"/> <atom id="Heparan-NAc-glucosaminide-atom3" elementType="O" x2="-3983.0" y2="4044.0"/> <atom id="Heparan-NAc-glucosaminide-atom4" elementType="O" x2="-6062.0" y2="1991.0"/> <atom id="Heparan-NAc-glucosaminide-atom5" elementType="O" x2="-817.0" y2="3317.0"/> <atom id="Heparan-NAc-glucosaminide-atom6" elementType="N" x2="-2244.0" y2="3302.0"/> <atom id="Heparan-NAc-glucosaminide-atom7" elementType="Heparan-Sulfate" x2="-1371.0" y2="555.0"/> <atom id="Heparan-NAc-glucosaminide-atom8" elementType="C" x2="-3284.0" y2="1869.0"/> <atom id="Heparan-NAc-glucosaminide-atom9" elementType="C" x2="-3284.0" y2="2697.0"/> <atom id="Heparan-NAc-glucosaminide-atom10" elementType="C" x2="-4008.0" y2="3111.0"/> <atom id="Heparan-NAc-glucosaminide-atom11" elementType="C" x2="-4721.0" y2="2697.0"/> <atom id="Heparan-NAc-glucosaminide-atom12" elementType="C" x2="-4721.0" y2="1869.0"/> <atom id="Heparan-NAc-glucosaminide-atom13" elementType="C" x2="-5428.0" y2="1458.0"/> <atom id="Heparan-NAc-glucosaminide-atom14" elementType="C" x2="-1534.0" y2="3724.0"/> <atom id="Heparan-NAc-glucosaminide-atom15" elementType="C" x2="-1548.0" y2="4545.0"/> <atom id="Heparan-NAc-glucosaminide-atom16" elementType="O" x2="-5428.0" y2="3111.0"/> <bond id="Heparan-NAc-glucosaminide-bond1" atomRefs="Heparan-NAc-glucosaminide-atom1 Heparan-NAc-glucosaminide-atom7" order="1"/> <bond id="Heparan-NAc-glucosaminide-bond2" atomRefs="Heparan-NAc-glucosaminide-atom8 Heparan-NAc-glucosaminide-atom1" order="1"/> <bond id="Heparan-NAc-glucosaminide-bond3" atomRefs="Heparan-NAc-glucosaminide-atom2 Heparan-NAc-glucosaminide-atom8" order="1"/> <bond id="Heparan-NAc-glucosaminide-bond4" atomRefs="Heparan-NAc-glucosaminide-atom2 Heparan-NAc-glucosaminide-atom12" order="1"/> <bond id="Heparan-NAc-glucosaminide-bond5" atomRefs="Heparan-NAc-glucosaminide-atom1…

CHEBI CHEBI:49016
structure data: InChI%3D1S%2FC4H8O2S%2Fc1-7-3-2-4%285%296%2Fh2-3H2%2C1H3%2C%28H%2C5%2C6%29%2Fp-1

CHEBI CHEBI:33226
structure data: InChI%3D1S%2FC9H10O%2Fc10-8-4-7-9-5-2-1-3-6-9%2Fh1-7%2C10H%2C8H2%2Fb7-4-

biopax-level3ChemicalStructure132692
structure data: <atom id="OLEOYL-COA-atom1" elementType="C" x2="201073.0" y2="-62478.0"/> <atom id="OLEOYL-COA-atom2" elementType="C" x2="29451.0" y2="-4663.0"/> <atom id="OLEOYL-COA-atom3" elementType="C" x2="29451.0" y2="-20964.0"/> <atom id="OLEOYL-COA-atom4" elementType="N" x2="12148.0" y2="-75539.0"/> <atom id="OLEOYL-COA-atom5" elementType="O" x2="71542.0" y2="-20298.0"/> <atom id="OLEOYL-COA-atom6" elementType="O" x2="106981.0" y2="-1004.0"/> <atom id="OLEOYL-COA-atom7" elementType="O" x2="43259.0" y2="-20799.0"/> <atom id="OLEOYL-COA-atom8" elementType="O" x2="51409.0" y2="-19138.0"/> <atom id="OLEOYL-COA-atom9" elementType="O" x2="0.0" y2="-30948.0"/> <atom id="OLEOYL-COA-atom10" elementType="O" x2="0.0" y2="-14474.0"/> <atom id="OLEOYL-COA-atom11" elementType="O" x2="36269.0" y2="0.0"/> <atom id="OLEOYL-COA-atom12" elementType="O" x2="48753.0" y2="-44090.0"/> <atom id="OLEOYL-COA-atom13" elementType="O" x2="59568.0" y2="-27288.0" formalCharge="-1"/> <atom id="OLEOYL-COA-atom14" elementType="O" x2="51409.0" y2="-35438.0" formalCharge="-1"/> <atom id="OLEOYL-COA-atom15" elementType="O" x2="8150.0" y2="-39098.0" formalCharge="-1"/> <atom id="OLEOYL-COA-atom16" elementType="O" x2="8150.0" y2="-6325.0" formalCharge="-1"/> <atom id="OLEOYL-COA-atom17" elementType="C" x2="143421.0" y2="-62561.0"/> <atom id="OLEOYL-COA-atom18" elementType="C" x2="136267.0" y2="-58400.0"/> <atom id="OLEOYL-COA-atom19" elementType="C" x2="4992.0" y2="-55078.0"/> <atom id="OLEOYL-COA-atom20" elementType="C" x2="34443.0" y2="-62891.0"/> <atom id="OLEOYL-COA-atom21" elementType="C" x2="193861.0" y2="-58327.0"/> <atom id="OLEOYL-COA-atom22" elementType="C" x2="150622.0" y2="-58390.0"/> <atom id="OLEOYL-COA-atom23" elementType="C" x2="136102.0" y2="-50086.0"/> <atom id="OLEOYL-COA-atom24" elementType="C" x2="186660.0" y2="-62499.0"/> <atom id="OLEOYL-COA-atom25" elementType="C" x2="157834.0" y2="-62540.0"/> <atom id="OLEOYL-COA-atom26" elementType="C" x2="128947.0" y2="-45924.0"/> <atom id="OLEOYL-COA-a…

CHEBI CHEBI:32551
structure data: InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Fp%2B1%2Ft5-%2Fm0%2Fs1

biopax-level3ChemicalStructure134139
structure data: <atom id="CPD-8621-atom1" elementType="C" x2="7821.0" y2="-1878.0"/> <atom id="CPD-8621-atom2" elementType="C" x2="8883.0" y2="-2834.0"/> <atom id="CPD-8621-atom3" elementType="C" x2="4806.0" y2="-4159.0"/> <atom id="CPD-8621-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-8621-atom5" elementType="C" x2="4404.0" y2="-3326.0"/> <atom id="CPD-8621-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-8621-atom7" elementType="C" x2="7524.0" y2="-3276.0"/> <atom id="CPD-8621-atom8" elementType="C" x2="6717.0" y2="-3104.0"/> <atom id="CPD-8621-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-8621-atom10" elementType="C" x2="2889.0" y2="-2506.0"/> <atom id="CPD-8621-atom11" elementType="C" x2="6165.0" y2="-3717.0"/> <atom id="CPD-8621-atom12" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-8621-atom13" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-8621-atom14" elementType="C" x2="5102.0" y2="-1427.0"/> <atom id="CPD-8621-atom15" elementType="C" x2="5588.0" y2="-2094.0"/> <atom id="CPD-8621-atom16" elementType="C" x2="3603.0" y2="-2919.0"/> <atom id="CPD-8621-atom17" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-8621-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-8621-atom19" elementType="C" x2="8076.0" y2="-2662.0"/> <atom id="CPD-8621-atom20" elementType="C" x2="3603.0" y2="-1269.0"/> <atom id="CPD-8621-atom21" elementType="C" x2="2889.0" y2="-1681.0"/> <atom id="CPD-8621-atom22" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-8621-atom23" elementType="C" x2="5358.0" y2="-3546.0"/> <atom id="CPD-8621-atom24" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-8621-atom25" elementType="C" x2="4318.0" y2="-1681.0"/> <atom id="CPD-8621-atom26" elementType="C" x2="5102.0" y2="-2761.0"/> <atom id="CPD-8621-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-8621-atom28" elementType="C" x2="4318.0" y2="-2506.0"/> <bond id="CPD-8621-bond1" atomRefs="CPD-8621-atom1 CPD-8621-atom19" o…

biopax-level3ChemicalStructure134104
structure data: <atom id="CPD-4543-atom1" elementType="C" x2="5716.0" y2="-2888.0"/> <atom id="CPD-4543-atom2" elementType="C" x2="4287.0" y2="-2888.0"/> <atom id="CPD-4543-atom3" elementType="C" x2="3572.0" y2="-2475.0"/> <atom id="CPD-4543-atom4" elementType="N" x2="6430.0" y2="-3300.0"/> <atom id="CPD-4543-atom5" elementType="C" x2="5716.0" y2="-3712.0"/> <atom id="CPD-4543-atom6" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-4543-atom7" elementType="C" x2="5001.0" y2="-6600.0"/> <atom id="CPD-4543-atom8" elementType="C" x2="714.0" y2="0.0"/> <atom id="CPD-4543-atom9" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-4543-atom10" elementType="C" x2="4287.0" y2="-6188.0"/> <atom id="CPD-4543-atom11" elementType="C" x2="5716.0" y2="-6188.0"/> <atom id="CPD-4543-atom12" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-4543-atom13" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-4543-atom14" elementType="C" x2="4287.0" y2="-5362.0"/> <atom id="CPD-4543-atom15" elementType="C" x2="5716.0" y2="-5362.0"/> <atom id="CPD-4543-atom16" elementType="C" x2="3572.0" y2="-4125.0"/> <atom id="CPD-4543-atom17" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-4543-atom18" elementType="C" x2="2858.0" y2="-3712.0"/> <atom id="CPD-4543-atom19" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="CPD-4543-atom20" elementType="C" x2="4287.0" y2="-3712.0"/> <atom id="CPD-4543-atom21" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-4543-atom22" elementType="C" x2="5001.0" y2="-4950.0"/> <atom id="CPD-4543-atom23" elementType="C" x2="5001.0" y2="-3300.0"/> <atom id="CPD-4543-atom24" elementType="N" x2="2858.0" y2="-2888.0" formalCharge="1"/> <atom id="CPD-4543-atom25" elementType="C" x2="5001.0" y2="-4125.0"/> <bond id="CPD-4543-bond1" atomRefs="CPD-4543-atom23 CPD-4543-atom25" order="1"/> <bond id="CPD-4543-bond2" atomRefs="CPD-4543-atom22 CPD-4543-atom25" order="1"/> <bond id="CPD-4543-bond3" atomRefs="CPD-4543-atom25 CPD-4543-atom20" order="1"/> <bond id="CPD…

CHEBI CHEBI:143310
structure data: InChI%3D1S%2FC15H23NO4%2Fc1-11%282%2916-9-13%2817%2910-20-14-6-3-12%284-7-14%295-8-15%2818%2919%2Fh3-4%2C6-7%2C11%2C13%2C16-17H%2C5%2C8-10H2%2C1-2H3%2C%28H%2C18%2C19%29

biopax-level3ChemicalStructure160095
structure data: <atom id="CPD-5169-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5169-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5169-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5169-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5169-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5169-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5169-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5169-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5169-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5169-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5169-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5169-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5169-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5169-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5169-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5169-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5169-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5169-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5169-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5169-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5169-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5169-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5169-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5169-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5169-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5169-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5169-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

biopax-level3ChemicalStructure140374
structure data: <atom id="CPD-3762-atom1" elementType="N" x2="0.0" y2="-8397.0"/> <atom id="CPD-3762-atom2" elementType="N" x2="2658.0" y2="-24609.0"/> <atom id="CPD-3762-atom3" elementType="O" x2="11562.0" y2="0.0"/> <atom id="CPD-3762-atom4" elementType="C" x2="23854.0" y2="-22057.0"/> <atom id="CPD-3762-atom5" elementType="N" x2="21303.0" y2="-14214.0"/> <atom id="CPD-3762-atom6" elementType="N" x2="17178.0" y2="-26907.0"/> <atom id="CPD-3762-atom7" elementType="C" x2="8203.0" y2="-7537.0"/> <atom id="CPD-3762-atom8" elementType="C" x2="10507.0" y2="-22057.0"/> <atom id="CPD-3762-atom9" elementType="C" x2="13053.0" y2="-14214.0"/> <bond id="CPD-3762-bond1" atomRefs="CPD-3762-atom9 CPD-3762-atom8" order="1"/> <bond id="CPD-3762-bond2" atomRefs="CPD-3762-atom7 CPD-3762-atom9" order="1"/> <bond id="CPD-3762-bond3" atomRefs="CPD-3762-atom8 CPD-3762-atom6" order="2"/> <bond id="CPD-3762-bond4" atomRefs="CPD-3762-atom5 CPD-3762-atom9" order="1"/> <bond id="CPD-3762-bond5" atomRefs="CPD-3762-atom6 CPD-3762-atom4" order="1"/> <bond id="CPD-3762-bond6" atomRefs="CPD-3762-atom4 CPD-3762-atom5" order="2"/> <bond id="CPD-3762-bond7" atomRefs="CPD-3762-atom3 CPD-3762-atom7" order="2"/> <bond id="CPD-3762-bond8" atomRefs="CPD-3762-atom2 CPD-3762-atom8" order="1"/> <bond id="CPD-3762-bond9" atomRefs="CPD-3762-atom1 CPD-3762-atom7" order="1"/> <formula concise="H 6 C 4 O 1 N 4"/> 126.118 C1(=NC(C(N)=O)C(N)=N1)

CHEBI CHEBI:60775
structure data: InChI%3D1S%2FC41H42N4O8%2Fc1-9-23-20%282%2929-17-34-27-13-10-26%2839%2849%2952-7%2938%2840%2850%2953-8%2941%2827%2C5%2935%2845-34%2919-30-22%284%2925%2812-15-37%2848%2951-6%2933%2844-30%2918-32-24%2811-14-36%2846%2947%2921%283%2928%2843-32%2916-31%2823%2942-29%2Fh9-10%2C13%2C16-19%2C38%2C43%2C45H%2C1%2C11-12%2C14-15H2%2C2-8H3%2C%28H%2C46%2C47%29%2Fb31-16-%2C33-18-%2C34-17-%2C35-19-%2Ft38-%2C41%2B%2Fm0%2Fs1

CHEBI CHEBI:39153
structure data: InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)

biopax-level3ChemicalStructure140450
structure data: <atom id="URIDINE-atom1" elementType="C" x2="0.0" y2="825.0"/> <atom id="URIDINE-atom2" elementType="N" x2="0.0" y2="0.0"/> <atom id="URIDINE-atom3" elementType="O" x2="-667.0" y2="1310.0"/> <atom id="URIDINE-atom4" elementType="C" x2="668.0" y2="1310.0"/> <atom id="URIDINE-atom5" elementType="C" x2="714.0" y2="-412.0"/> <atom id="URIDINE-atom6" elementType="C" x2="-714.0" y2="-412.0"/> <atom id="URIDINE-atom7" elementType="C" x2="-412.0" y2="2095.0"/> <atom id="URIDINE-atom8" elementType="C" x2="412.0" y2="2095.0"/> <atom id="URIDINE-atom9" elementType="O" x2="1452.0" y2="1055.0"/> <atom id="URIDINE-atom10" elementType="N" x2="714.0" y2="-1238.0"/> <atom id="URIDINE-atom11" elementType="O" x2="1429.0" y2="0.0"/> <atom id="URIDINE-atom12" elementType="C" x2="-714.0" y2="-1238.0"/> <atom id="URIDINE-atom13" elementType="O" x2="898.0" y2="2762.0"/> <atom id="URIDINE-atom14" elementType="C" x2="0.0" y2="-1650.0"/> <atom id="URIDINE-atom15" elementType="C" x2="-897.0" y2="2762.0"/> <atom id="URIDINE-atom16" elementType="O" x2="-562.0" y2="3516.0"/> <atom id="URIDINE-atom17" elementType="O" x2="0.0" y2="-2475.0"/> <bond id="URIDINE-bond1" atomRefs="URIDINE-atom1 URIDINE-atom2" order="1"/> <bond id="URIDINE-bond2" atomRefs="URIDINE-atom1 URIDINE-atom3" order="1"/> <bond id="URIDINE-bond3" atomRefs="URIDINE-atom1 URIDINE-atom4" order="1"/> <bond id="URIDINE-bond4" atomRefs="URIDINE-atom2 URIDINE-atom5" order="1"/> <bond id="URIDINE-bond5" atomRefs="URIDINE-atom2 URIDINE-atom6" order="1"/> <bond id="URIDINE-bond6" atomRefs="URIDINE-atom3 URIDINE-atom7" order="1"/> <bond id="URIDINE-bond7" atomRefs="URIDINE-atom4 URIDINE-atom8" order="1"/> <bond id="URIDINE-bond8" atomRefs="URIDINE-atom4 URIDINE-atom9" order="1"/> <bond id="URIDINE-bond9" atomRefs="URIDINE-atom5 URIDINE-atom10" order="1"/> <bond id="URIDINE-bond10" atomRefs="URIDINE-atom5 URIDINE-atom11" order="2"/> <bond id="URIDINE-bond11" atomRefs="URIDINE-atom6 URIDINE-atom12" order="2"/> <bond id="URIDINE-bond12" atomRe…

biopax-level3ChemicalStructure141230
structure data: <cml> <molecule id="Sphingoids" title="a sphingoid base" formalCharge="0" dictRef="dictSphingoids"> <atomArray> <atom id="Sphingoids-atom1" elementType="O" x2="-8044.0" y2="-2858.0"/> <atom id="Sphingoids-atom2" elementType="C" x2="-7329.0" y2="-3270.0"/> <atom id="Sphingoids-atom3" elementType="C" x2="-6615.0" y2="-2858.0"/> <atom id="Sphingoids-atom4" elementType="C" x2="-5900.0" y2="-3270.0"/> <atom id="Sphingoids-atom5" elementType="R" x2="-5186.0" y2="-2858.0"/> <atom id="Sphingoids-atom6" elementType="O" x2="-5900.0" y2="-4096.0"/> <atom id="Sphingoids-atom7" elementType="N" x2="-6615.0" y2="-2033.0"/> </atomArray> <bondArray> <bond id="Sphingoids-bond1" atomRefs="Sphingoids-atom1 Sphingoids-atom2" order="1"/> <bond id="Sphingoids-bond2" atomRefs="Sphingoids-atom2 Sphingoids-atom3" order="1"/> <bond id="Sphingoids-bond3" atomRefs="Sphingoids-atom3 Sphingoids-atom4" order="1"/> <bond id="Sphingoids-bond4" atomRefs="Sphingoids-atom4 Sphingoids-atom5" order="1"/> <bond id="Sphingoids-bond5" atomRefs="Sphingoids-atom4 Sphingoids-atom6" order="1"/> <bond id="Sphingoids-bond6" atomRefs="Sphingoids-atom3 Sphingoids-atom7" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(O)([R])C(N)CO</string> </molecule> </cml>

CHEBI CHEBI:27706
structure data: InChI%3D1S%2FC18H32O3%2Fc1-2-3-10-13-16-17%2821-16%2914-11-8-6-4-5-7-9-12-15-18%2819%2920%2Fh8%2C11%2C16-17H%2C2-7%2C9-10%2C12-15H2%2C1H3%2C%28H%2C19%2C20%29%2Fb11-8-%2Ft16-%2C17%2B%2Fm1%2Fs1

CHEBI CHEBI:59746
structure data: InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3%2Ft11-%2Fm1%2Fs1

CHEBI CHEBI:17865
structure data: InChI%3D1S%2FC6H10O3%2Fc1-4%282%293-5%287%296%288%299%2Fh4H%2C3H2%2C1-2H3%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure155942
structure data: <atom id="GERANYL-PP-atom1" elementType="O" x2="12140.0" y2="-35206.0"/> <atom id="GERANYL-PP-atom2" elementType="C" x2="-4680.0" y2="-34732.0"/> <atom id="GERANYL-PP-atom3" elementType="O" x2="20710.0" y2="-26955.0" formalCharge="-1"/> <atom id="GERANYL-PP-atom4" elementType="P" x2="38957.0" y2="-35206.0"/> <atom id="GERANYL-PP-atom5" elementType="C" x2="-11822.0" y2="-38859.0"/> <atom id="GERANYL-PP-atom6" elementType="O" x2="38957.0" y2="-43459.0"/> <atom id="GERANYL-PP-atom7" elementType="P" x2="20710.0" y2="-35206.0"/> <atom id="GERANYL-PP-atom8" elementType="C" x2="-33243.0" y2="-34732.0"/> <atom id="GERANYL-PP-atom9" elementType="C" x2="2937.0" y2="-39494.0"/> <atom id="GERANYL-PP-atom10" elementType="C" x2="-47371.0" y2="-34732.0"/> <atom id="GERANYL-PP-atom11" elementType="C" x2="-40227.0" y2="-38859.0"/> <atom id="GERANYL-PP-atom12" elementType="C" x2="-11822.0" y2="-47112.0"/> <atom id="GERANYL-PP-atom13" elementType="O" x2="29119.0" y2="-35206.0"/> <atom id="GERANYL-PP-atom14" elementType="O" x2="38957.0" y2="-26955.0" formalCharge="-1"/> <atom id="GERANYL-PP-atom15" elementType="O" x2="47210.0" y2="-35206.0" formalCharge="-1"/> <atom id="GERANYL-PP-atom16" elementType="O" x2="20710.0" y2="-43459.0"/> <atom id="GERANYL-PP-atom17" elementType="C" x2="-18962.0" y2="-34732.0"/> <atom id="GERANYL-PP-atom18" elementType="C" x2="-40227.0" y2="-47112.0"/> <atom id="GERANYL-PP-atom19" elementType="C" x2="-26106.0" y2="-38859.0"/> <bond id="GERANYL-PP-bond1" atomRefs="GERANYL-PP-atom19 GERANYL-PP-atom17" order="1"/> <bond id="GERANYL-PP-bond2" atomRefs="GERANYL-PP-atom18 GERANYL-PP-atom11" order="1"/> <bond id="GERANYL-PP-bond3" atomRefs="GERANYL-PP-atom17 GERANYL-PP-atom5" order="1"/> <bond id="GERANYL-PP-bond4" atomRefs="GERANYL-PP-atom16 GERANYL-PP-atom7" order="2"/> <bond id="GERANYL-PP-bond5" atomRefs="GERANYL-PP-atom15 GERANYL-PP-atom4" order="1"/> <bond id="GERANYL-PP-bond6" atomRefs="GERANYL-PP-atom14 GERANYL-PP-atom4" order="1"/> <bond id="GERANYL-PP-bon…

biopax-level3ChemicalStructure161831
structure data: <atom id="CPD-9700-atom1" elementType="C" x2="4397.0" y2="-4989.0"/> <atom id="CPD-9700-atom2" elementType="C" x2="4395.0" y2="-4164.0"/> <atom id="CPD-9700-atom3" elementType="C" x2="4806.0" y2="-3449.0"/> <atom id="CPD-9700-atom4" elementType="C" x2="3981.0" y2="-3450.0"/> <atom id="CPD-9700-atom5" elementType="C" x2="3266.0" y2="-3039.0"/> <atom id="CPD-9700-atom6" elementType="C" x2="2552.0" y2="-3453.0"/> <atom id="CPD-9700-atom7" elementType="C" x2="1788.0" y2="-2834.0"/> <atom id="CPD-9700-atom8" elementType="O" x2="1962.0" y2="-2141.0"/> <atom id="CPD-9700-atom9" elementType="O" x2="1095.0" y2="-2671.0" formalCharge="-1"/> <atom id="CPD-9700-atom10" elementType="N" x2="2544.0" y2="-4220.0"/> <atom id="CPD-9700-atom11" elementType="C" x2="1749.0" y2="-4968.0"/> <atom id="CPD-9700-atom12" elementType="O" x2="1747.0" y2="-5793.0"/> <atom id="CPD-9700-atom13" elementType="C" x2="1035.0" y2="-4554.0"/> <atom id="CPD-9700-atom14" elementType="C" x2="320.0" y2="-4964.0"/> <atom id="CPD-9700-atom15" elementType="C" x2="-394.0" y2="-4550.0"/> <atom id="CPD-9700-atom16" elementType="C" x2="-1109.0" y2="-4961.0"/> <atom id="CPD-9700-atom17" elementType="O" x2="-1111.0" y2="-5786.0"/> <atom id="CPD-9700-atom18" elementType="O" x2="-1822.0" y2="-4547.0" formalCharge="-1"/> <atom id="CPD-9700-atom19" elementType="N" x2="-392.0" y2="-3725.0" formalCharge="1"/> <bond id="CPD-9700-bond1" atomRefs="CPD-9700-atom1 CPD-9700-atom2" order="2"/> <bond id="CPD-9700-bond2" atomRefs="CPD-9700-atom2 CPD-9700-atom3" order="1"/> <bond id="CPD-9700-bond3" atomRefs="CPD-9700-atom3 CPD-9700-atom4" order="1"/> <bond id="CPD-9700-bond4" atomRefs="CPD-9700-atom2 CPD-9700-atom4" order="1"/> <bond id="CPD-9700-bond5" atomRefs="CPD-9700-atom4 CPD-9700-atom5" order="1"/> <bond id="CPD-9700-bond6" atomRefs="CPD-9700-atom5 CPD-9700-atom6" order="1"/> <bond id="CPD-9700-bond7" atomRefs="CPD-9700-atom6 CPD-9700-atom7" order="1"/> <bond id="CPD-9700-bond8" atomRefs="CPD-9700-atom7 CPD-9700-atom8" orde…

biopax-level3ChemicalStructure164742
structure data: <cml> <molecule id="PROTEIN-L-BETA-ISOASPARTATES" title="a [protein]-L-beta-isoaspartate" formalCharge="0"> <atomArray> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom1" elementType="C" x2="-5643.0" y2="-3852.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom2" elementType="C" x2="1501.0" y2="8523.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom3" elementType="Protein" x2="8646.0" y2="-3852.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom4" elementType="C" x2="-5643.0" y2="4398.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom5" elementType="C" x2="1501.0" y2="-7977.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom6" elementType="O" x2="1501.0" y2="-16227.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom7" elementType="N" x2="-12788.0" y2="8523.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom8" elementType="Protein" x2="-23214.0" y2="3794.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom9" elementType="O" x2="1501.0" y2="16773.0"/> <atom id="PROTEIN-L-BETA-ISOASPARTATES-atom10" elementType="O" x2="9158.0" y2="5452.0"/> </atomArray> <bondArray> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond1" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom7 PROTEIN-L-BETA-ISOASPARTATES-atom8" order="1"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond2" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom5 PROTEIN-L-BETA-ISOASPARTATES-atom6" order="2"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond3" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom4 PROTEIN-L-BETA-ISOASPARTATES-atom7" order="1"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond4" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom2 PROTEIN-L-BETA-ISOASPARTATES-atom9" order="2"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond5" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom2 PROTEIN-L-BETA-ISOASPARTATES-atom10" order="1"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond6" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom4 PROTEIN-L-BETA-ISOASPARTATES-atom2" order="1"/> <bond id="PROTEIN-L-BETA-ISOASPARTATES-bond7" atomRefs="PROTEIN-L-BETA-ISOASPARTATES-atom1 PROTEIN-L-BETA-ISOASPART…

CHEBI CHEBI:18385
structure data: InChI%3D1S%2FC12H17N4OS%2Fc1-8-11%283-4-17%2918-7-16%288%296-10-5-14-9%282%2915-12%2810%2913%2Fh5%2C7%2C17H%2C3-4%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29%2Fq%2B1

CHEBI CHEBI:35422
structure data: InChI%3D1S%2FC6H5NO6S%2Fc8-7%289%295-1-3-6%284-2-5%2913-14%2810%2C11%2912%2Fh1-4H%2C%28H%2C10%2C11%2C12%29

CHEBI CHEBI:26757
structure data: InChI%3D1S%2FC19H30O2%2Fc1-2-3-4-5-6-7-10-13-17-16-18%2817%2914-11-8-9-12-15-19%2820%2921%2Fh1H%2C3-16H2%2C%28H%2C20%2C21%29

biopax-level3ChemicalStructure148176
structure data: <cml> <molecule id="Ribonucleoside-Monophosphates" title="a ribonucleoside monophosphate" formalCharge="-2" dictRef="dictRibonucleoside-Monophosphates"> <atomArray> <atom id="Ribonucleoside-Monophosphates-atom1" elementType="O" x2="8291000.0" y2="-3.3446e+7"/> <atom id="Ribonucleoside-Monophosphates-atom2" elementType="O" x2="4.1709e+7" y2="0.0"/> <atom id="Ribonucleoside-Monophosphates-atom3" elementType="O" x2="2.3761e+7" y2="-1000.0"/> <atom id="Ribonucleoside-Monophosphates-atom4" elementType="O" x2="0.0" y2="-2.5215002e+7" formalCharge="-1"/> <atom id="Ribonucleoside-Monophosphates-atom5" elementType="O" x2="8313000.0" y2="-1.6947e+7" formalCharge="-1"/> <atom id="Ribonucleoside-Monophosphates-atom6" elementType="R" x2="4.7255996e+7" y2="-1.707e+7"/> <atom id="Ribonucleoside-Monophosphates-atom7" elementType="C" x2="1.8215e+7" y2="-1.707e+7"/> <atom id="Ribonucleoside-Monophosphates-atom8" elementType="O" x2="1.65e+7" y2="-2.514e+7"/> <atom id="Ribonucleoside-Monophosphates-atom9" elementType="O" x2="3.2735e+7" y2="-1.937e+7"/> <atom id="Ribonucleoside-Monophosphates-atom10" elementType="C" x2="3.686e+7" y2="-6675000.0"/> <atom id="Ribonucleoside-Monophosphates-atom11" elementType="C" x2="2.861e+7" y2="-6675000.0"/> <atom id="Ribonucleoside-Monophosphates-atom12" elementType="C" x2="3.941e+7" y2="-1.4521e+7"/> <atom id="Ribonucleoside-Monophosphates-atom13" elementType="C" x2="2.6061e+7" y2="-1.4521e+7"/> <atom id="Ribonucleoside-Monophosphates-atom14" elementType="P" x2="8250000.0" y2="-2.5196e+7"/> </atomArray> <bondArray> <bond id="Ribonucleoside-Monophosphates-bond1" atomRefs="Ribonucleoside-Monophosphates-atom11 Ribonucleoside-Monophosphates-atom13" order="1"/> <bond id="Ribonucleoside-Monophosphates-bond2" atomRefs="Ribonucleoside-Monophosphates-atom10 Ribonucleoside-Monophosphates-atom12" order="1"/> <bond id="Ribonucleoside-Monophosphates-bond3" atomRefs="Ribonucleoside-Monophosphates-atom10 Ribonucleoside-Monophosphates-atom11" order="1"/> <bond id="Ri…

CHEBI CHEBI:64429
structure data: InChI%3D1S%2FC16H18N2O%2Fc1-10%289-19%296-13-12-4-3-5-14-16%2812%2911%288-18-14%297-15%2813%2917-2%2Fh3-6%2C8-9%2C13%2C15%2C17-18H%2C7H2%2C1-2H3%2Fb10-6%2B%2Ft13-%2C15-%2Fm1%2Fs1

CHEBI CHEBI:32499
structure data: InChI%3D1S%2FC22H27NO2%2Fc24-21%2825%2913-3-1-2-8-16-23-22-19-11-6-4-9-17%2819%2914-15-18-10-5-7-12-20%2818%2922%2Fh4-7%2C9-12%2C22-23H%2C1-3%2C8%2C13-16H2%2C%28H%2C24%2C25%29

CHEBI CHEBI:15343
structure data: InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3

CHEBI CHEBI:16830
structure data: InChI%3D1S%2FCH5N%2Fc1-2%2Fh2H2%2C1H3

biopax-level3ChemicalStructure169411
structure data: <atom id="CPD-8617-atom1" elementType="C" x2="8882.0" y2="-4061.0"/> <atom id="CPD-8617-atom2" elementType="C" x2="7820.0" y2="-3105.0"/> <atom id="CPD-8617-atom3" elementType="C" x2="4806.0" y2="-5386.0"/> <atom id="CPD-8617-atom4" elementType="C" x2="2143.0" y2="-3290.0"/> <atom id="CPD-8617-atom5" elementType="C" x2="4403.0" y2="-4554.0"/> <atom id="CPD-8617-atom6" elementType="O" x2="2174.0" y2="0.0"/> <atom id="CPD-8617-atom7" elementType="O" x2="0.0" y2="-1228.0"/> <atom id="CPD-8617-atom8" elementType="C" x2="7523.0" y2="-4503.0"/> <atom id="CPD-8617-atom9" elementType="C" x2="6716.0" y2="-4331.0"/> <atom id="CPD-8617-atom10" elementType="C" x2="1450.0" y2="-394.0"/> <atom id="CPD-8617-atom11" elementType="C" x2="3572.0" y2="-1640.0"/> <atom id="CPD-8617-atom12" elementType="C" x2="2889.0" y2="-3733.0"/> <atom id="CPD-8617-atom13" elementType="C" x2="6164.0" y2="-4944.0"/> <atom id="CPD-8617-atom14" elementType="C" x2="2857.0" y2="-1228.0"/> <atom id="CPD-8617-atom15" elementType="C" x2="714.0" y2="-2465.0"/> <atom id="CPD-8617-atom16" elementType="C" x2="5102.0" y2="-2654.0"/> <atom id="CPD-8617-atom17" elementType="C" x2="5587.0" y2="-3321.0"/> <atom id="CPD-8617-atom18" elementType="C" x2="3603.0" y2="-4146.0"/> <atom id="CPD-8617-atom19" elementType="C" x2="1428.0" y2="-2878.0"/> <atom id="CPD-8617-atom20" elementType="C" x2="8075.0" y2="-3890.0"/> <atom id="CPD-8617-atom21" elementType="C" x2="3603.0" y2="-2496.0"/> <atom id="CPD-8617-atom22" elementType="C" x2="2889.0" y2="-2909.0"/> <atom id="CPD-8617-atom23" elementType="C" x2="5358.0" y2="-4774.0"/> <atom id="CPD-8617-atom24" elementType="C" x2="714.0" y2="-1640.0"/> <atom id="CPD-8617-atom25" elementType="C" x2="1428.0" y2="-1228.0"/> <atom id="CPD-8617-atom26" elementType="C" x2="4317.0" y2="-2909.0"/> <atom id="CPD-8617-atom27" elementType="C" x2="5102.0" y2="-3988.0"/> <atom id="CPD-8617-atom28" elementType="C" x2="2143.0" y2="-1640.0"/> <atom id="CPD-8617-atom29" elementType="C" x2="2143.0" y2="…

CHEBI CHEBI:63979
structure data: InChI%3D1S%2FC20H30O5%2Fc21-17-10-6-2-1-3-7-12-18%2822%2913-8-4-5-9-14-19%2823%2915-11-16-20%2824%2925%2Fh3-5%2C7-9%2C13-14%2C17-19%2C22-23H%2C1-2%2C6%2C10-12%2C15-16H2%2C%28H%2C24%2C25%29%2Fb5-4%2B%2C7-3-%2C13-8%2B%2C14-9-%2Ft18-%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure160444
structure data: <atom id="CPD-8215-atom1" elementType="O" x2="57654.0" y2="-14727.0"/> <atom id="CPD-8215-atom2" elementType="O" x2="29955.0" y2="-14727.0"/> <atom id="CPD-8215-atom3" elementType="O" x2="71768.0" y2="9501.0" formalCharge="-1"/> <atom id="CPD-8215-atom4" elementType="O" x2="43804.0" y2="-14453.0"/> <atom id="CPD-8215-atom5" elementType="O" x2="43804.0" y2="17232.0"/> <atom id="CPD-8215-atom6" elementType="C" x2="15842.0" y2="9501.0"/> <atom id="CPD-8215-atom7" elementType="C" x2="43804.0" y2="-6532.0"/> <atom id="CPD-8215-atom8" elementType="C" x2="43804.0" y2="9310.0"/> <atom id="CPD-8215-atom9" elementType="C" x2="57745.0" y2="-6807.0"/> <atom id="CPD-8215-atom10" elementType="C" x2="29864.0" y2="-6807.0"/> <atom id="CPD-8215-atom11" elementType="C" x2="64923.0" y2="5514.0"/> <atom id="CPD-8215-atom12" elementType="C" x2="22687.0" y2="5514.0"/> <atom id="CPD-8215-atom13" elementType="C" x2="50665.0" y2="-2571.0"/> <atom id="CPD-8215-atom14" elementType="C" x2="36944.0" y2="-2571.0"/> <atom id="CPD-8215-atom15" elementType="C" x2="50665.0" y2="5350.0"/> <atom id="CPD-8215-atom16" elementType="C" x2="36944.0" y2="5350.0"/> <atom id="CPD-8215-atom17" elementType="C" x2="64923.0" y2="-2736.0"/> <atom id="CPD-8215-atom18" elementType="C" x2="22687.0" y2="-2736.0"/> <atom id="CPD-8215-atom19" elementType="C" x2="57745.0" y2="9586.0"/> <atom id="CPD-8215-atom20" elementType="C" x2="29864.0" y2="9586.0"/> <bond id="CPD-8215-bond1" atomRefs="CPD-8215-atom1 CPD-8215-atom9" order="1"/> <bond id="CPD-8215-bond2" atomRefs="CPD-8215-atom2 CPD-8215-atom10" order="1"/> <bond id="CPD-8215-bond3" atomRefs="CPD-8215-atom3 CPD-8215-atom11" order="1"/> <bond id="CPD-8215-bond4" atomRefs="CPD-8215-atom4 CPD-8215-atom7" order="2"/> <bond id="CPD-8215-bond5" atomRefs="CPD-8215-atom5 CPD-8215-atom8" order="2"/> <bond id="CPD-8215-bond6" atomRefs="CPD-8215-atom6 CPD-8215-atom12" order="1"/> <bond id="CPD-8215-bond7" atomRefs="CPD-8215-atom7 CPD-8215-atom13" order="1"/> <bond id="CPD-8215-b…

CHEBI CHEBI:46979
structure data: InChI%3D1S%2FC20H39NO3%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20%2824%2919%2817-22%2921-18%282%2923%2Fh15-16%2C19-20%2C22%2C24H%2C3-14%2C17H2%2C1-2H3%2C%28H%2C21%2C23%29%2Fb16-15%2B%2Ft19-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:27385
structure data: InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295

biopax-level3ChemicalStructure159026
structure data: <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom1" elementType="C" x2="113391.0" y2="-13042.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom2" elementType="C" x2="14194.0" y2="-7591.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom3" elementType="O" x2="112568.0" y2="-26737.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom4" elementType="O" x2="988.0" y2="-9738.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom5" elementType="O" x2="45059.0" y2="-38127.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom6" elementType="O" x2="1323.0" y2="-58924.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom7" elementType="O" x2="72789.0" y2="-46382.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom8" elementType="O" x2="36809.0" y2="-46382.0" formalCharge="-1"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom9" elementType="O" x2="16670.0" y2="-46382.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom10" elementType="O" x2="22615.0" y2="-13371.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom11" elementType="O" x2="101343.0" y2="-36145.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom12" elementType="O" x2="0.0" y2="-38127.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom13" elementType="O" x2="40437.0" y2="-11390.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom14" elementType="O" x2="51498.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom15" elementType="O" x2="68003.0" y2="-3963.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom16" elementType="O" x2="86984.0" y2="-12378.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom17" elementType="C" x2="1323.0" y2="-50675.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom18" elementType="C" x2="72789.0" y2="-38127.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA-atom19" elementType="C" x2="44895.0" y2="-27566.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GA…

biopax-level3ChemicalStructure173918
structure data: <atom id="CPD-3194-atom1" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="CPD-3194-atom2" elementType="O" x2="5001.0" y2="-1650.0" formalCharge="-1"/> <atom id="CPD-3194-atom3" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3194-atom4" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-3194-atom5" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3194-atom6" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3194-atom7" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3194-atom8" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3194-atom9" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3194-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3194-atom11" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3194-atom12" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="CPD-3194-bond1" atomRefs="CPD-3194-atom9 CPD-3194-atom11" order="1"/> <bond id="CPD-3194-bond2" atomRefs="CPD-3194-atom12 CPD-3194-atom8" order="2"/> <bond id="CPD-3194-bond3" atomRefs="CPD-3194-atom8 CPD-3194-atom10" order="1"/> <bond id="CPD-3194-bond4" atomRefs="CPD-3194-atom7 CPD-3194-atom12" order="1"/> <bond id="CPD-3194-bond5" atomRefs="CPD-3194-atom10 CPD-3194-atom6" order="2"/> <bond id="CPD-3194-bond6" atomRefs="CPD-3194-atom5 CPD-3194-atom7" order="2"/> <bond id="CPD-3194-bond7" atomRefs="CPD-3194-atom6 CPD-3194-atom5" order="1"/> <bond id="CPD-3194-bond8" atomRefs="CPD-3194-atom4 CPD-3194-atom12" order="1"/> <bond id="CPD-3194-bond9" atomRefs="CPD-3194-atom3 CPD-3194-atom9" order="1"/> <bond id="CPD-3194-bond10" atomRefs="CPD-3194-atom3 CPD-3194-atom4" order="2"/> <bond id="CPD-3194-bond11" atomRefs="CPD-3194-atom2 CPD-3194-atom11" order="1"/> <bond id="CPD-3194-bond12" atomRefs="CPD-3194-atom1 CPD-3194-atom11" order="2"/> <formula concise="H 8 N 1 C 9 O 2"/> 162.168 C1(N=CC=CC(C=CCC(=O)[O-])=1)

CHEBI CHEBI:18917
structure data: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

CHEBI CHEBI:33118
structure data: InChI%3D1S%2FBH3O3%2Fc2-1%283%294%2Fh2-4H

biopax-level3ChemicalStructure171942
structure data: <atom id="CPD-8614-atom1" elementType="C" x2="8882.0" y2="-3667.0"/> <atom id="CPD-8614-atom2" elementType="C" x2="7820.0" y2="-2711.0"/> <atom id="CPD-8614-atom3" elementType="C" x2="4805.0" y2="-4992.0"/> <atom id="CPD-8614-atom4" elementType="C" x2="1481.0" y2="0.0"/> <atom id="CPD-8614-atom5" elementType="C" x2="2143.0" y2="-2896.0"/> <atom id="CPD-8614-atom6" elementType="C" x2="4404.0" y2="-4160.0"/> <atom id="CPD-8614-atom7" elementType="O" x2="0.0" y2="-834.0"/> <atom id="CPD-8614-atom8" elementType="C" x2="7523.0" y2="-4109.0"/> <atom id="CPD-8614-atom9" elementType="C" x2="6716.0" y2="-3937.0"/> <atom id="CPD-8614-atom10" elementType="C" x2="3572.0" y2="-1246.0"/> <atom id="CPD-8614-atom11" elementType="C" x2="714.0" y2="-2071.0"/> <atom id="CPD-8614-atom12" elementType="C" x2="2889.0" y2="-3339.0"/> <atom id="CPD-8614-atom13" elementType="C" x2="6164.0" y2="-4550.0"/> <atom id="CPD-8614-atom14" elementType="C" x2="2858.0" y2="-834.0"/> <atom id="CPD-8614-atom15" elementType="C" x2="5102.0" y2="-2259.0"/> <atom id="CPD-8614-atom16" elementType="C" x2="5587.0" y2="-2927.0"/> <atom id="CPD-8614-atom17" elementType="C" x2="1429.0" y2="-2483.0"/> <atom id="CPD-8614-atom18" elementType="C" x2="3604.0" y2="-3752.0"/> <atom id="CPD-8614-atom19" elementType="C" x2="8075.0" y2="-3496.0"/> <atom id="CPD-8614-atom20" elementType="C" x2="714.0" y2="-1246.0"/> <atom id="CPD-8614-atom21" elementType="C" x2="3604.0" y2="-2102.0"/> <atom id="CPD-8614-atom22" elementType="C" x2="2889.0" y2="-2515.0"/> <atom id="CPD-8614-atom23" elementType="C" x2="5357.0" y2="-4379.0"/> <atom id="CPD-8614-atom24" elementType="C" x2="1429.0" y2="-834.0"/> <atom id="CPD-8614-atom25" elementType="C" x2="4318.0" y2="-2515.0"/> <atom id="CPD-8614-atom26" elementType="C" x2="2143.0" y2="-1246.0"/> <atom id="CPD-8614-atom27" elementType="C" x2="5102.0" y2="-3594.0"/> <atom id="CPD-8614-atom28" elementType="C" x2="2143.0" y2="-2071.0"/> <atom id="CPD-8614-atom29" elementType="C" x2="4318.0" y2="-3…

CHEBI CHEBI:28803
structure data: InChI%3D1S%2FC8H12NO6P%2Fc1-5-8%2811%297%283-10%296%282-9-5%294-15-16%2812%2C13%2914%2Fh2%2C10-11H%2C3-4H2%2C1H3%2C%28H2%2C12%2C13%2C14%29

biopax-level3ChemicalStructure159418
structure data: <atom id="RIBOSE-1-ARSENATE-atom1" elementType="O" x2="14803.0" y2="-7195.0"/> <atom id="RIBOSE-1-ARSENATE-atom2" elementType="O" x2="22488.0" y2="-14878.0" formalCharge="-1"/> <atom id="RIBOSE-1-ARSENATE-atom3" elementType="C" x2="-14878.0" y2="-3202.0"/> <atom id="RIBOSE-1-ARSENATE-atom4" elementType="C" x2="5988.0" y2="-8851.0"/> <atom id="RIBOSE-1-ARSENATE-atom5" elementType="C" x2="-10886.0" y2="-16762.0"/> <atom id="RIBOSE-1-ARSENATE-atom6" elementType="O" x2="5988.0" y2="-14878.0"/> <atom id="RIBOSE-1-ARSENATE-atom7" elementType="C" x2="1997.0" y2="-16762.0"/> <atom id="RIBOSE-1-ARSENATE-atom8" elementType="O" x2="14803.0" y2="-22563.0" formalCharge="-1"/> <atom id="RIBOSE-1-ARSENATE-atom9" elementType="O" x2="-22563.0" y2="-3202.0"/> <atom id="RIBOSE-1-ARSENATE-atom10" elementType="C" x2="-14878.0" y2="-8851.0"/> <atom id="RIBOSE-1-ARSENATE-atom11" elementType="O" x2="-10886.0" y2="-21358.0"/> <atom id="RIBOSE-1-ARSENATE-atom12" elementType="O" x2="1997.0" y2="-21358.0"/> <atom id="RIBOSE-1-ARSENATE-atom13" elementType="O" x2="-4483.0" y2="-2899.0"/> <atom id="RIBOSE-1-ARSENATE-atom14" elementType="AS" x2="14803.0" y2="-14878.0"/> <bond id="RIBOSE-1-ARSENATE-bond1" atomRefs="RIBOSE-1-ARSENATE-atom1 RIBOSE-1-ARSENATE-atom14" order="2"/> <bond id="RIBOSE-1-ARSENATE-bond2" atomRefs="RIBOSE-1-ARSENATE-atom2 RIBOSE-1-ARSENATE-atom14" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond3" atomRefs="RIBOSE-1-ARSENATE-atom3 RIBOSE-1-ARSENATE-atom10" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond4" atomRefs="RIBOSE-1-ARSENATE-atom4 RIBOSE-1-ARSENATE-atom7" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond5" atomRefs="RIBOSE-1-ARSENATE-atom5 RIBOSE-1-ARSENATE-atom7" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond6" atomRefs="RIBOSE-1-ARSENATE-atom6 RIBOSE-1-ARSENATE-atom4" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond7" atomRefs="RIBOSE-1-ARSENATE-atom8 RIBOSE-1-ARSENATE-atom14" order="1"/> <bond id="RIBOSE-1-ARSENATE-bond8" atomRefs="RIBOSE-1-ARSENATE-atom9 RIBOSE-1-ARSENATE-atom3" ord…

CHEBI CHEBI:18403
structure data: InChI%3D1S%2FC5H12O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3-10H%2C1-2H2%2Ft3-%2C4-%2Fm0%2Fs1

CHEBI CHEBI:30966
structure data: InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2

CHEBI CHEBI:27637
structure data: InChI%3D1S%2FC8H8O5%2Fc9-5-2-1-4%283-6%285%2910%297%2811%298%2812%2913%2Fh1-3%2C7%2C9-11H%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure135720
structure data: <cml> <molecule id="Heparan-sulfate-D-glucuronate" title="[heparan-sulfate]-beta-D-glucuronate" formalCharge="0" dictRef="dictHeparan-sulfate-D-glucuronate"> <atomArray> <atom id="Heparan-sulfate-D-glucuronate-atom1" elementType="O" x2="1303.0" y2="1165.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom2" elementType="O" x2="1160.0" y2="1165.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom3" elementType="O" x2="1303.0" y2="1329.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom4" elementType="O" x2="1161.0" y2="1412.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom5" elementType="O" x2="1017.0" y2="1082.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom6" elementType="O" x2="946.0" y2="1205.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom7" elementType="C" x2="1232.0" y2="1206.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom8" elementType="C" x2="1232.0" y2="1288.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom9" elementType="C" x2="1089.0" y2="1205.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom10" elementType="C" x2="1161.0" y2="1329.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom11" elementType="C" x2="1089.0" y2="1287.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom12" elementType="C" x2="1017.0" y2="1165.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom13" elementType="O" x2="1017.0" y2="1329.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom14" elementType="R1" x2="946.0" y2="1370.0"/> <atom id="Heparan-sulfate-D-glucuronate-atom15" elementType="R2" x2="1375.0" y2="1123.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-D-glucuronate-bond1" atomRefs="Heparan-sulfate-D-glucuronate-atom7 Heparan-sulfate-D-glucuronate-atom1" order="1"/> <bond id="Heparan-sulfate-D-glucuronate-bond2" atomRefs="Heparan-sulfate-D-glucuronate-atom2 Heparan-sulfate-D-glucuronate-atom7" order="1"/> <bond id="Heparan-sulfate-D-glucuronate-bond3" atomRefs="Heparan-sulfate-D-glucuronate-atom2 Heparan-sulfate-D-glucuronate-atom9" order="1"/> <bond id="Heparan-sulfate-D-glucuronat…

CHEBI CHEBI:30746
structure data: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

biopax-level3ChemicalStructure160341
structure data: <atom id="CPD-11411-atom1" elementType="C" x2="-29758.0" y2="5893.0"/> <atom id="CPD-11411-atom2" elementType="C" x2="-36903.0" y2="10018.0"/> <atom id="CPD-11411-atom3" elementType="C" x2="-36903.0" y2="18268.0"/> <atom id="CPD-11411-atom4" elementType="C" x2="-29758.0" y2="22392.0"/> <atom id="CPD-11411-atom5" elementType="C" x2="-22613.0" y2="18268.0"/> <atom id="CPD-11411-atom6" elementType="C" x2="-22613.0" y2="10018.0"/> <atom id="CPD-11411-atom7" elementType="O" x2="-44047.0" y2="22392.0"/> <atom id="CPD-11411-atom8" elementType="I" x2="-44047.0" y2="5893.0"/> <atom id="CPD-11411-atom9" elementType="O" x2="-15470.0" y2="5893.0"/> <atom id="CPD-11411-atom10" elementType="C" x2="-8627.0" y2="1283.0"/> <atom id="CPD-11411-atom11" elementType="I" x2="-29758.0" y2="30642.0"/> <atom id="CPD-11411-atom12" elementType="C" x2="-1483.0" y2="-11092.0"/> <atom id="CPD-11411-atom13" elementType="C" x2="-8627.0" y2="-6967.0"/> <atom id="CPD-11411-atom14" elementType="C" x2="-1483.0" y2="5408.0"/> <atom id="CPD-11411-atom15" elementType="C" x2="5662.0" y2="1283.0"/> <atom id="CPD-11411-atom16" elementType="C" x2="5662.0" y2="-6967.0"/> <atom id="CPD-11411-atom17" elementType="I" x2="-15772.0" y2="-11092.0"/> <atom id="CPD-11411-atom18" elementType="I" x2="-1483.0" y2="13658.0"/> <atom id="CPD-11411-atom19" elementType="C" x2="12807.0" y2="-11092.0"/> <atom id="CPD-11411-atom20" elementType="C" x2="19563.0" y2="-15826.0"/> <atom id="CPD-11411-atom21" elementType="O" x2="27040.0" y2="-12341.0"/> <atom id="CPD-11411-atom22" elementType="O" x2="18842.0" y2="-24043.0"/> <atom id="CPD-11411-atom23" elementType="C" x2="25172.0" y2="-29333.0"/> <atom id="CPD-11411-atom24" elementType="C" x2="32316.0" y2="-41709.0"/> <atom id="CPD-11411-atom25" elementType="O" x2="25172.0" y2="-37584.0"/> <atom id="CPD-11411-atom26" elementType="C" x2="32316.0" y2="-25208.0"/> <atom id="CPD-11411-atom27" elementType="C" x2="39461.0" y2="-29333.0"/> <atom id="CPD-11411-atom28" elementType="C" x2="394…

biopax-level3ChemicalStructure174633
structure data: <atom id="CPD-11291-atom1" elementType="O" x2="99524.0" y2="14438.0"/> <atom id="CPD-11291-atom2" elementType="O" x2="42365.0" y2="14438.0"/> <atom id="CPD-11291-atom3" elementType="O" x2="120958.0" y2="-6188.0"/> <atom id="CPD-11291-atom4" elementType="O" x2="85234.0" y2="14438.0"/> <atom id="CPD-11291-atom5" elementType="O" x2="142393.0" y2="14438.0"/> <atom id="CPD-11291-atom6" elementType="O" x2="63799.0" y2="-6188.0"/> <atom id="CPD-11291-atom7" elementType="O" x2="20930.0" y2="2063.0"/> <atom id="CPD-11291-atom8" elementType="O" x2="163827.0" y2="-6188.0"/> <atom id="CPD-11291-atom9" elementType="O" x2="28075.0" y2="14438.0"/> <atom id="CPD-11291-atom10" elementType="N" x2="113814.0" y2="6188.0"/> <atom id="CPD-11291-atom11" elementType="N" x2="135248.0" y2="2063.0"/> <atom id="CPD-11291-atom12" elementType="N" x2="56655.0" y2="6188.0"/> <atom id="CPD-11291-atom13" elementType="N" x2="78089.0" y2="2063.0"/> <atom id="CPD-11291-atom14" elementType="N" x2="156682.0" y2="6188.0"/> <atom id="CPD-11291-atom15" elementType="C" x2="106668.0" y2="2063.0"/> <atom id="CPD-11291-atom16" elementType="C" x2="106668.0" y2="-6188.0"/> <atom id="CPD-11291-atom17" elementType="C" x2="99524.0" y2="6188.0"/> <atom id="CPD-11291-atom18" elementType="C" x2="99524.0" y2="-10313.0"/> <atom id="CPD-11291-atom19" elementType="C" x2="128103.0" y2="6188.0"/> <atom id="CPD-11291-atom20" elementType="C" x2="49509.0" y2="2063.0"/> <atom id="CPD-11291-atom21" elementType="C" x2="92379.0" y2="2063.0"/> <atom id="CPD-11291-atom22" elementType="C" x2="128103.0" y2="14438.0"/> <atom id="CPD-11291-atom23" elementType="C" x2="120958.0" y2="2063.0"/> <atom id="CPD-11291-atom24" elementType="C" x2="49509.0" y2="-6188.0"/> <atom id="CPD-11291-atom25" elementType="C" x2="42365.0" y2="-10313.0"/> <atom id="CPD-11291-atom26" elementType="C" x2="42365.0" y2="6188.0"/> <atom id="CPD-11291-atom27" elementType="C" x2="99524.0" y2="-18563.0"/> <atom id="CPD-11291-atom28" elementType="C" x2="92379.0" y2="-61…

CHEBI CHEBI:28182
structure data: InChI%3D1S%2FC4H6N2O%2Fc7-2-4-1-5-3-6-4%2Fh1%2C3%2C7H%2C2H2%2C%28H%2C5%2C6%29

CHEBI CHEBI:17368
structure data: InChI%3D1S%2FC5H4N4O%2Fc10-5-3-4%287-1-6-3%298-2-9-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29

biopax-level3ChemicalStructure139633
structure data: <atom id="CPD-1107-atom1" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-1107-atom2" elementType="C" x2="0.0" y2="-825.0"/> <atom id="CPD-1107-atom3" elementType="C" x2="714.0" y2="412.0"/> <atom id="CPD-1107-atom4" elementType="C" x2="-714.0" y2="412.0"/> <atom id="CPD-1107-atom5" elementType="C" x2="0.0" y2="825.0"/> <atom id="CPD-1107-atom6" elementType="C" x2="-714.0" y2="-412.0"/> <atom id="CPD-1107-atom7" elementType="O" x2="1429.0" y2="-825.0"/> <atom id="CPD-1107-atom8" elementType="O" x2="0.0" y2="-1650.0"/> <atom id="CPD-1107-atom9" elementType="O" x2="-1429.0" y2="-825.0"/> <atom id="CPD-1107-atom10" elementType="O" x2="-1429.0" y2="825.0"/> <atom id="CPD-1107-atom11" elementType="O" x2="1429.0" y2="-1650.0" formalCharge="-1"/> <atom id="CPD-1107-atom12" elementType="O" x2="714.0" y2="-2889.0"/> <atom id="CPD-1107-atom13" elementType="O" x2="-714.0" y2="-2062.0" formalCharge="-1"/> <atom id="CPD-1107-atom14" elementType="O" x2="-2143.0" y2="-2062.0"/> <atom id="CPD-1107-atom15" elementType="O" x2="-2143.0" y2="-412.0"/> <atom id="CPD-1107-atom16" elementType="O" x2="-2858.0" y2="825.0" formalCharge="-1"/> <atom id="CPD-1107-atom17" elementType="O" x2="0.0" y2="1650.0"/> <atom id="CPD-1107-atom18" elementType="O" x2="-1429.0" y2="1650.0" formalCharge="-1"/> <atom id="CPD-1107-atom19" elementType="O" x2="-714.0" y2="2889.0"/> <atom id="CPD-1107-atom20" elementType="O" x2="1429.0" y2="825.0"/> <atom id="CPD-1107-atom21" elementType="O" x2="1429.0" y2="2476.0"/> <atom id="CPD-1107-atom22" elementType="P" x2="-1429.0" y2="-1650.0"/> <atom id="CPD-1107-atom23" elementType="O" x2="-1429.0" y2="-2476.0" formalCharge="-1"/> <atom id="CPD-1107-atom24" elementType="P" x2="714.0" y2="-2062.0"/> <atom id="CPD-1107-atom25" elementType="O" x2="1429.0" y2="-2476.0" formalCharge="-1"/> <atom id="CPD-1107-atom26" elementType="P" x2="-714.0" y2="2062.0"/> <atom id="CPD-1107-atom27" elementType="O" x2="-1429.0" y2="2476.0" formalCharge="-1"/> <atom id="CPD-1107-atom2…

CHEBI CHEBI:37099
structure data: InChI%3D1S%2FC8H16O3%2Fc1-2-3-4-5-7%289%296-8%2810%2911%2Fh7%2C9H%2C2-6H2%2C1H3%2C%28H%2C10%2C11%29%2Ft7-%2Fm1%2Fs1

biopax-level3ChemicalStructure148931
structure data: <cml> <molecule id="Triacylglycerols" title="a triacylglycerol" formalCharge="0" dictRef="dictTriacylglycerols"> <atomArray> <atom id="Triacylglycerols-atom1" elementType="O" x2="2143.0" y2="-1238.0"/> <atom id="Triacylglycerols-atom2" elementType="O" x2="714.0" y2="-2887.0"/> <atom id="Triacylglycerols-atom3" elementType="R1" x2="2857.0" y2="0.0"/> <atom id="Triacylglycerols-atom4" elementType="C" x2="0.0" y2="-1650.0"/> <atom id="Triacylglycerols-atom5" elementType="C" x2="714.0" y2="-412.0"/> <atom id="Triacylglycerols-atom6" elementType="O" x2="1429.0" y2="0.0"/> <atom id="Triacylglycerols-atom7" elementType="O" x2="1429.0" y2="-1650.0"/> <atom id="Triacylglycerols-atom8" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="Triacylglycerols-atom9" elementType="C" x2="1429.0" y2="-2474.0"/> <atom id="Triacylglycerols-atom10" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="Triacylglycerols-atom11" elementType="O" x2="0.0" y2="-2474.0"/> <atom id="Triacylglycerols-atom12" elementType="C" x2="-714.0" y2="-2954.0"/> <atom id="Triacylglycerols-atom13" elementType="O" x2="-714.0" y2="-3779.0"/> <atom id="Triacylglycerols-atom14" elementType="R2" x2="2143.0" y2="-2888.0"/> <atom id="Triacylglycerols-atom15" elementType="R3" x2="-1399.0" y2="-2494.0"/> </atomArray> <bondArray> <bond id="Triacylglycerols-bond1" atomRefs="Triacylglycerols-atom1 Triacylglycerols-atom8" order="2"/> <bond id="Triacylglycerols-bond2" atomRefs="Triacylglycerols-atom2 Triacylglycerols-atom9" order="2"/> <bond id="Triacylglycerols-bond3" atomRefs="Triacylglycerols-atom11 Triacylglycerols-atom4" order="1"/> <bond id="Triacylglycerols-bond4" atomRefs="Triacylglycerols-atom3 Triacylglycerols-atom8" order="1"/> <bond id="Triacylglycerols-bond5" atomRefs="Triacylglycerols-atom14 Triacylglycerols-atom9" order="1"/> <bond id="Triacylglycerols-bond6" atomRefs="Triacylglycerols-atom4 Triacylglycerols-atom10" order="1"/> <bond id="Triacylglycerols-bond7" atomRefs="Triacylglycerols-atom5 Triacylglycerols…

CHEBI CHEBI:16188
structure data: InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3

biopax-level3ChemicalStructure163870
structure data: <atom id="CPD-3183-atom1" elementType="C" x2="3069.0" y2="-1333.0"/> <atom id="CPD-3183-atom2" elementType="C" x2="714.0" y2="0.0"/> <atom id="CPD-3183-atom3" elementType="C" x2="0.0" y2="-2063.0"/> <atom id="CPD-3183-atom4" elementType="C" x2="714.0" y2="-2476.0"/> <atom id="CPD-3183-atom5" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3183-atom6" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3183-atom7" elementType="C" x2="3037.0" y2="-3467.0"/> <atom id="CPD-3183-atom8" elementType="C" x2="3450.0" y2="-2753.0"/> <atom id="CPD-3183-atom9" elementType="C" x2="2230.0" y2="-3296.0"/> <atom id="CPD-3183-atom10" elementType="C" x2="1429.0" y2="-2063.0"/> <atom id="CPD-3183-atom11" elementType="N" x2="2898.0" y2="-2140.0" formalCharge="1"/> <atom id="CPD-3183-atom12" elementType="N" x2="714.0" y2="-825.0" formalCharge="1"/> <atom id="CPD-3183-atom13" elementType="C" x2="2144.0" y2="-2476.0"/> <bond id="CPD-3183-bond1" atomRefs="CPD-3183-atom11 CPD-3183-atom13" order="1"/> <bond id="CPD-3183-bond2" atomRefs="CPD-3183-atom13 CPD-3183-atom10" order="1"/> <bond id="CPD-3183-bond3" atomRefs="CPD-3183-atom9 CPD-3183-atom13" order="1"/> <bond id="CPD-3183-bond4" atomRefs="CPD-3183-atom8 CPD-3183-atom11" order="1"/> <bond id="CPD-3183-bond5" atomRefs="CPD-3183-atom7 CPD-3183-atom9" order="1"/> <bond id="CPD-3183-bond6" atomRefs="CPD-3183-atom7 CPD-3183-atom8" order="1"/> <bond id="CPD-3183-bond7" atomRefs="CPD-3183-atom6 CPD-3183-atom12" order="2"/> <bond id="CPD-3183-bond8" atomRefs="CPD-3183-atom10 CPD-3183-atom6" order="1"/> <bond id="CPD-3183-bond9" atomRefs="CPD-3183-atom12 CPD-3183-atom5" order="1"/> <bond id="CPD-3183-bond10" atomRefs="CPD-3183-atom4 CPD-3183-atom10" order="2"/> <bond id="CPD-3183-bond11" atomRefs="CPD-3183-atom5 CPD-3183-atom3" order="2"/> <bond id="CPD-3183-bond12" atomRefs="CPD-3183-atom3 CPD-3183-atom4" order="1"/> <bond id="CPD-3183-bond13" atomRefs="CPD-3183-atom2 CPD-3183-atom12" order="1"/> <bond id="CPD-3183-bond14" atomRefs="…

biopax-level3ChemicalStructure143610
structure data: <cml> <molecule id="Chitodextrins" title="a chitodextrin" formalCharge="0" dictRef="dictChitodextrins"> <atomArray> <atom id="Chitodextrins-atom1" elementType="C" x2="16485.0" y2="53056.0"/> <atom id="Chitodextrins-atom2" elementType="C" x2="16485.0" y2="61306.0"/> <atom id="Chitodextrins-atom3" elementType="O" x2="9340.0" y2="48931.0"/> <atom id="Chitodextrins-atom4" elementType="C" x2="9340.0" y2="65431.0"/> <atom id="Chitodextrins-atom5" elementType="C" x2="2195.0" y2="53056.0"/> <atom id="Chitodextrins-atom6" elementType="C" x2="2195.0" y2="61306.0"/> <atom id="Chitodextrins-atom7" elementType="C" x2="37844.0" y2="39798.0"/> <atom id="Chitodextrins-atom8" elementType="C" x2="37844.0" y2="31548.0"/> <atom id="Chitodextrins-atom9" elementType="O" x2="25130.0" y2="47911.0"/> <atom id="Chitodextrins-atom10" elementType="C" x2="45023.0" y2="43974.0"/> <atom id="Chitodextrins-atom11" elementType="O" x2="45023.0" y2="27406.0"/> <atom id="Chitodextrins-atom12" elementType="C" x2="30768.0" y2="27406.0"/> <atom id="Chitodextrins-atom13" elementType="C" x2="52237.0" y2="39798.0"/> <atom id="Chitodextrins-atom14" elementType="O" x2="45023.0" y2="52189.0"/> <atom id="Chitodextrins-atom15" elementType="C" x2="52237.0" y2="31548.0"/> <atom id="Chitodextrins-atom16" elementType="O" x2="23623.0" y2="31514.0"/> <atom id="Chitodextrins-atom17" elementType="N" x2="57195.0" y2="43974.0"/> <atom id="Chitodextrins-atom18" elementType="O" x2="61833.0" y2="28476.0"/> <atom id="Chitodextrins-atom19" elementType="C" x2="73464.0" y2="21297.0"/> <atom id="Chitodextrins-atom20" elementType="C" x2="73464.0" y2="13082.0"/> <atom id="Chitodextrins-atom21" elementType="C" x2="80610.0" y2="25508.0"/> <atom id="Chitodextrins-atom22" elementType="O" x2="80610.0" y2="9009.0"/> <atom id="Chitodextrins-atom23" elementType="C" x2="66424.0" y2="9009.0"/> <atom id="Chitodextrins-atom24" elementType="C" x2="87824.0" y2="21297.0"/> <atom id="Chitodextrins-atom25" elementType="O" x2="80610.0" y2="33757.0"/>…

CHEBI CHEBI:18431
structure data: InChI%3D1S%2FC27H46O3%2Fc1-17%2816-28%296-5-7-18%282%2921-8-9-22-25-23%2811-13-27%2821%2C22%294%2926%283%2912-10-20%2829%2914-19%2826%2915-24%2825%2930%2Fh15%2C17-18%2C20-25%2C28-30H%2C5-14%2C16H2%2C1-4H3%2Ft17%3F%2C18-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:43796
structure data: InChI%3D1S%2FC8H14O2S2%2Fc9-8%2810%294-2-1-3-7-5-6-11-12-7%2Fh7H%2C1-6H2%2C%28H%2C9%2C10%29%2Ft7-%2Fm0%2Fs1

CHEBI CHEBI:35966
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11%2C16H%2C5-6%2C8%2C10%2C12H2%2C1-4H3%2Fb14-9-%2C15-11%2B

biopax-level3ChemicalStructure164848
structure data: <cml> <molecule id="CPD-405" title="a phosphatidyl-N-methylethanolamine" formalCharge="0" dictRef="dictCPD-405"> <atomArray> <atom id="CPD-405-atom1" elementType="O" x2="22910.0" y2="121000.0"/> <atom id="CPD-405-atom2" elementType="C" x2="94370.0" y2="79750.0"/> <atom id="CPD-405-atom3" elementType="C" x2="165820.0" y2="121000.0"/> <atom id="CPD-405-atom4" elementType="C" x2="94370.0" y2="-2750.0"/> <atom id="CPD-405-atom5" elementType="O" x2="165820.0" y2="-44000.0"/> <atom id="CPD-405-atom6" elementType="C" x2="165820.0" y2="-126500.0"/> <atom id="CPD-405-atom7" elementType="O" x2="94370.0" y2="-167750.0"/> <atom id="CPD-405-atom8" elementType="O" x2="165820.0" y2="203500.0"/> <atom id="CPD-405-atom9" elementType="P" x2="251010.0" y2="203970.0"/> <atom id="CPD-405-atom10" elementType="O" x2="333220.0" y2="203500.0"/> <atom id="CPD-405-atom11" elementType="O" x2="251030.0" y2="286470.0"/> <atom id="CPD-405-atom12" elementType="O" x2="254030.0" y2="121520.0" formalCharge="-1"/> <atom id="CPD-405-atom13" elementType="C" x2="374870.0" y2="274720.0"/> <atom id="CPD-405-atom14" elementType="C" x2="455990.0" y2="276100.0"/> <atom id="CPD-405-atom15" elementType="N" x2="499010.0" y2="345480.0" formalCharge="1"/> <atom id="CPD-405-atom16" elementType="C" x2="617270.0" y2="349150.0"/> <atom id="CPD-405-atom17" elementType="C" x2="22460.0" y2="203500.0"/> <atom id="CPD-405-atom18" elementType="O" x2="93500.0" y2="244760.0"/> <atom id="CPD-405-atom19" elementType="R" x2="237260.0" y2="-167750.0"/> <atom id="CPD-405-atom20" elementType="R" x2="-48980.0" y2="244750.0"/> </atomArray> <bondArray> <bond id="CPD-405-bond1" atomRefs="CPD-405-atom17 CPD-405-atom18" order="2"/> <bond id="CPD-405-bond2" atomRefs="CPD-405-atom1 CPD-405-atom17" order="1"/> <bond id="CPD-405-bond3" atomRefs="CPD-405-atom15 CPD-405-atom16" order="1"/> <bond id="CPD-405-bond4" atomRefs="CPD-405-atom14 CPD-405-atom15" order="1"/> <bond id="CPD-405-bond5" atomRefs="CPD-405-atom13 CPD-405-atom14" order="1"/> …

biopax-level3ChemicalStructure142575
structure data: <cml> <molecule id="Short-Heparan-Fragments" title="short heparan sulfate fragments" formalCharge="-2"> <atomArray> <atom id="Short-Heparan-Fragments-atom1" elementType="S" x2="1230.0" y2="1519.0"/> <atom id="Short-Heparan-Fragments-atom2" elementType="O" x2="1570.0" y2="1003.0"/> <atom id="Short-Heparan-Fragments-atom3" elementType="O" x2="1413.0" y2="1008.0"/> <atom id="Short-Heparan-Fragments-atom4" elementType="O" x2="1239.0" y2="1191.0"/> <atom id="Short-Heparan-Fragments-atom5" elementType="O" x2="1413.0" y2="1256.0"/> <atom id="Short-Heparan-Fragments-atom6" elementType="O" x2="1064.0" y2="1208.0"/> <atom id="Short-Heparan-Fragments-atom7" elementType="O" x2="1230.0" y2="1431.0"/> <atom id="Short-Heparan-Fragments-atom8" elementType="O" x2="921.0" y2="1373.0"/> <atom id="Short-Heparan-Fragments-atom9" elementType="O" x2="1064.0" y2="1457.0"/> <atom id="Short-Heparan-Fragments-atom10" elementType="O" x2="1197.0" y2="1049.0"/> <atom id="Short-Heparan-Fragments-atom11" elementType="O" x2="922.0" y2="1126.0"/> <atom id="Short-Heparan-Fragments-atom12" elementType="O" x2="849.0" y2="1250.0"/> <atom id="Short-Heparan-Fragments-atom13" elementType="O" x2="1230.0" y2="1607.0" formalCharge="-1"/> <atom id="Short-Heparan-Fragments-atom14" elementType="O" x2="1319.0" y2="1519.0"/> <atom id="Short-Heparan-Fragments-atom15" elementType="O" x2="1143.0" y2="1519.0"/> <atom id="Short-Heparan-Fragments-atom16" elementType="C" x2="1413.0" y2="1173.0"/> <atom id="Short-Heparan-Fragments-atom17" elementType="C" x2="1484.0" y2="1131.0"/> <atom id="Short-Heparan-Fragments-atom18" elementType="C" x2="1340.0" y2="1131.0"/> <atom id="Short-Heparan-Fragments-atom19" elementType="C" x2="1484.0" y2="1049.0"/> <atom id="Short-Heparan-Fragments-atom20" elementType="C" x2="1340.0" y2="1049.0"/> <atom id="Short-Heparan-Fragments-atom21" elementType="C" x2="1136.0" y2="1250.0"/> <atom id="Short-Heparan-Fragments-atom22" elementType="C" x2="1136.0" y2="1332.0"/> <atom id="Short-Heparan-Fragme…

biopax-level3ChemicalStructure158750
structure data: <cml> <molecule id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA" title="alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R" formalCharge="0" dictRef="dictALPHA-N-ACETYLNEURAMINYL-23-ETCETERA"> <atomArray> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom1" elementType="C" x2="10945.0" y2="-953.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom2" elementType="O" x2="8526.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom3" elementType="O" x2="5326.0" y2="-6767.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom4" elementType="O" x2="12240.0" y2="-7403.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom5" elementType="O" x2="0.0" y2="-9650.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom6" elementType="O" x2="7647.0" y2="-6792.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom7" elementType="O" x2="11116.0" y2="-6547.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom8" elementType="O" x2="7134.0" y2="-1100.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom9" elementType="O" x2="11116.0" y2="-5155.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom10" elementType="O" x2="0.0" y2="-5448.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom11" elementType="O" x2="2418.0" y2="-4031.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom12" elementType="R" x2="4837.0" y2="-9650.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom13" elementType="C" x2="10847.0" y2="-7403.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom14" elementType="C" x2="0.0" y2="-8258.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom15" elementType="C" x2="7134.0" y2="-5301.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom16" elementType="N" x2="9553.0" y2="-2370.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom17" elementType="O" x2="4862.0" y2="-8258.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom18" elementType="O" x2="2418.0" y2="-8258.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA-atom19" ele…

biopax-level3ChemicalStructure162010
structure data: <atom id="CPD-568-atom1" elementType="C" x2="7.5584e+7" y2="-2000.0"/> <atom id="CPD-568-atom2" elementType="N" x2="0.0" y2="-3777000.0" formalCharge="1"/> <atom id="CPD-568-atom3" elementType="O" x2="6.8438e+7" y2="-1.2377e+7"/> <atom id="CPD-568-atom4" elementType="C" x2="6543000.0" y2="0.0"/> <atom id="CPD-568-atom5" elementType="C" x2="1.3085001e+7" y2="-3777000.0"/> <atom id="CPD-568-atom6" elementType="C" x2="1.9628e+7" y2="0.0"/> <atom id="CPD-568-atom7" elementType="C" x2="4.7004e+7" y2="-1000.0"/> <atom id="CPD-568-atom8" elementType="C" x2="2.6171e+7" y2="-3777000.0"/> <atom id="CPD-568-atom9" elementType="C" x2="3.986e+7" y2="-4126000.0"/> <atom id="CPD-568-atom10" elementType="C" x2="5.4149e+7" y2="-4126000.0"/> <atom id="CPD-568-atom11" elementType="N" x2="3.2715002e+7" y2="0.0" formalCharge="1"/> <atom id="CPD-568-atom12" elementType="N" x2="6.1293996e+7" y2="-2000.0"/> <atom id="CPD-568-atom13" elementType="C" x2="6.8439e+7" y2="-4127000.0"/> <bond id="CPD-568-bond1" atomRefs="CPD-568-atom12 CPD-568-atom13" order="1"/> <bond id="CPD-568-bond2" atomRefs="CPD-568-atom10 CPD-568-atom12" order="1"/> <bond id="CPD-568-bond3" atomRefs="CPD-568-atom9 CPD-568-atom11" order="1"/> <bond id="CPD-568-bond4" atomRefs="CPD-568-atom8 CPD-568-atom11" order="1"/> <bond id="CPD-568-bond5" atomRefs="CPD-568-atom7 CPD-568-atom10" order="1"/> <bond id="CPD-568-bond6" atomRefs="CPD-568-atom7 CPD-568-atom9" order="1"/> <bond id="CPD-568-bond7" atomRefs="CPD-568-atom6 CPD-568-atom8" order="1"/> <bond id="CPD-568-bond8" atomRefs="CPD-568-atom5 CPD-568-atom6" order="1"/> <bond id="CPD-568-bond9" atomRefs="CPD-568-atom4 CPD-568-atom5" order="1"/> <bond id="CPD-568-bond10" atomRefs="CPD-568-atom3 CPD-568-atom13" order="2"/> <bond id="CPD-568-bond11" atomRefs="CPD-568-atom2 CPD-568-atom4" order="1"/> <bond id="CPD-568-bond12" atomRefs="CPD-568-atom1 CPD-568-atom13" order="1"/> <formula concise="H 23 O 1 N 3 C 9"/> 189.3 CC(=O)NCCC[N+]CCCC[N+]

CHEBI CHEBI:16875
structure data: InChI%3D1S%2FC9H7NO4%2Fc11-7-2-4-1-6%289%2813%2914%2910-5%284%293-8%287%2912%2Fh1-3%2C10-12H%2C%28H%2C13%2C14%29%2Fp-1

CHEBI CHEBI:17763
structure data: InChI%3D1S%2FC12H10O4%2Fc1-7-5-12%2814%2916-11-6-9%2815-8%282%2913%293-4-10%287%2911%2Fh3-6H%2C1-2H3

CHEBI CHEBI:16189
structure data: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2

CHEBI CHEBI:28592
structure data: InChI%3D1S%2FC18H34O3%2Fc1-2-3-4-11-14-17%2819%2915-12-9-7-5-6-8-10-13-16-18%2820%2921%2Fh9%2C12%2C17%2C19H%2C2-8%2C10-11%2C13-16H2%2C1H3%2C%28H%2C20%2C21%29%2Fb12-9-%2Ft17-%2Fm1%2Fs1

CHEBI CHEBI:57410
structure data: InChI%3D1S%2FC20H30O3%2Fc1-2-3-13-16-19%2821%2917-14-11-9-7-5-4-6-8-10-12-15-18-20%2822%2923%2Fh4-5%2C8-11%2C14%2C17H%2C2-3%2C6-7%2C12-13%2C15-16%2C18H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb5-4-%2C10-8-%2C11-9-%2C17-14%2B

biopax-level3ChemicalStructure150270
structure data: <cml> <molecule id="A-3-OXO-ACID" title="a 3-oxo acid" formalCharge="-1" dictRef="dictA-3-OXO-ACID"> <atomArray> <atom id="A-3-OXO-ACID-atom1" elementType="O" x2="2143.0" y2="-2062.0"/> <atom id="A-3-OXO-ACID-atom2" elementType="O" x2="714.0" y2="-2062.0"/> <atom id="A-3-OXO-ACID-atom3" elementType="O" x2="2858.0" y2="-825.0" formalCharge="-1"/> <atom id="A-3-OXO-ACID-atom4" elementType="C" x2="0.0" y2="-825.0"/> <atom id="A-3-OXO-ACID-atom5" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="A-3-OXO-ACID-atom6" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="A-3-OXO-ACID-atom7" elementType="C" x2="1429.0" y2="-825.0"/> <atom id="A-3-OXO-ACID-atom8" elementType="R" x2="-714.0" y2="-1238.0"/> </atomArray> <bondArray> <bond id="A-3-OXO-ACID-bond1" atomRefs="A-3-OXO-ACID-atom6 A-3-OXO-ACID-atom7" order="1"/> <bond id="A-3-OXO-ACID-bond2" atomRefs="A-3-OXO-ACID-atom5 A-3-OXO-ACID-atom7" order="1"/> <bond id="A-3-OXO-ACID-bond3" atomRefs="A-3-OXO-ACID-atom4 A-3-OXO-ACID-atom6" order="1"/> <bond id="A-3-OXO-ACID-bond4" atomRefs="A-3-OXO-ACID-atom3 A-3-OXO-ACID-atom5" order="1"/> <bond id="A-3-OXO-ACID-bond5" atomRefs="A-3-OXO-ACID-atom2 A-3-OXO-ACID-atom6" order="2"/> <bond id="A-3-OXO-ACID-bond6" atomRefs="A-3-OXO-ACID-atom1 A-3-OXO-ACID-atom5" order="2"/> <bond id="A-3-OXO-ACID-bond7" atomRefs="A-3-OXO-ACID-atom4 A-3-OXO-ACID-atom8" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])C(=O)CC(=O)[O-]</string> </molecule> </cml>

biopax-level3ChemicalStructure172287
structure data: <atom id="CPD-13536-atom1" elementType="C" x2="0.0" y2="-825.0"/> <atom id="CPD-13536-atom2" elementType="C" x2="-714.0" y2="-412.0"/> <atom id="CPD-13536-atom3" elementType="C" x2="-714.0" y2="412.0"/> <atom id="CPD-13536-atom4" elementType="C" x2="0.0" y2="825.0"/> <atom id="CPD-13536-atom5" elementType="C" x2="714.0" y2="412.0"/> <atom id="CPD-13536-atom6" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-13536-atom7" elementType="C" x2="1429.0" y2="-825.0"/> <atom id="CPD-13536-atom8" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-13536-atom9" elementType="C" x2="2858.0" y2="-825.0"/> <atom id="CPD-13536-atom10" elementType="C" x2="3573.0" y2="-412.0"/> <atom id="CPD-13536-atom11" elementType="C" x2="3572.0" y2="414.0"/> <atom id="CPD-13536-atom12" elementType="C" x2="4287.0" y2="826.0"/> <atom id="CPD-13536-atom13" elementType="C" x2="4287.0" y2="1652.0"/> <atom id="CPD-13536-atom14" elementType="C" x2="5002.0" y2="2064.0"/> <atom id="CPD-13536-atom15" elementType="O" x2="6431.0" y2="2064.0"/> <atom id="CPD-13536-atom16" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-13536-atom17" elementType="C" x2="3572.0" y2="2064.0"/> <atom id="CPD-13536-atom18" elementType="C" x2="5716.0" y2="1651.0"/> <atom id="CPD-13536-atom19" elementType="H" x2="5716.0" y2="826.0"/> <atom id="CPD-13536-atom20" elementType="C" x2="412.0" y2="-1540.0"/> <atom id="CPD-13536-atom21" elementType="C" x2="-412.0" y2="-1540.0"/> <atom id="CPD-13536-atom22" elementType="C" x2="1429.0" y2="825.0"/> <bond id="CPD-13536-bond1" atomRefs="CPD-13536-atom1 CPD-13536-atom20" order="1"/> <bond id="CPD-13536-bond2" atomRefs="CPD-13536-atom1 CPD-13536-atom21" order="1"/> <bond id="CPD-13536-bond3" atomRefs="CPD-13536-atom1 CPD-13536-atom2" order="1"/> <bond id="CPD-13536-bond4" atomRefs="CPD-13536-atom2 CPD-13536-atom3" order="1"/> <bond id="CPD-13536-bond5" atomRefs="CPD-13536-atom3 CPD-13536-atom4" order="1"/> <bond id="CPD-13536-bond6" atomRefs="CPD-13536-atom4 CPD-13536-atom5" …

biopax-level3ChemicalStructure160712
structure data: 4)-beta-D-galactosyl-(1->4)-D-glucosylceramide" formalCharge="0" dictRef="dictD-GALACTOSYL-14-D-GALACTOSYL-14-D-"> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom1" elementType="C" x2="36886.0" y2="-10188.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom2" elementType="O" x2="18919.0" y2="-14022.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom3" elementType="O" x2="0.0" y2="-3471.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom4" elementType="O" x2="9376.0" y2="-9264.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom5" elementType="O" x2="4702.0" y2="-6214.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom6" elementType="O" x2="18723.0" y2="-8257.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom7" elementType="O" x2="3611.0" y2="0.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom8" elementType="O" x2="1205.0" y2="-1400.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom9" elementType="O" x2="6046.0" y2="-1400.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom10" elementType="O" x2="15534.0" y2="-7640.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom11" elementType="O" x2="10888.0" y2="-4506.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom12" elementType="O" x2="13126.0" y2="-6074.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom13" elementType="O" x2="8452.0" y2="-2938.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom14" elementType="R" x2="20122.0" y2="-11951.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom15" elementType="C" x2="21129.0" y2="-9711.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom16" elementType="C" x2="19926.0" y2="-10439.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom17" elementType="C" x2="35656.0" y2="-9487.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom18" elementType="C" x2="22334.0" y2="-10439.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom19" elementType="C" x2="1205.0" y2="-4199.0"/> <atom id="D-GALACTOSYL-14-D-GALACTOSYL-14-D--atom20" elementT…

CHEBI CHEBI:17960
structure data: InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)

CHEBI CHEBI:15647
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-9-13-18%2821%2914-10-7-8-11-15-19%2822%2916-12-17-20%2823%2924%2Fh6-11%2C14-15%2C18-19%2C21-22H%2C2-5%2C12-13%2C16-17H2%2C1H3%2C%28H%2C23%2C24%29%2Fb8-7%2B%2C9-6-%2C14-10%2B%2C15-11-%2Ft18-%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure152663
structure data: <cml> <molecule id="Ribonucleoside-Diphosphates" title="a ribonucleoside diphosphate" formalCharge="-3" dictRef="dictRibonucleoside-Diphosphates"> <atomArray> <atom id="Ribonucleoside-Diphosphates-atom1" elementType="O" x2="19741.0" y2="-8491.0"/> <atom id="Ribonucleoside-Diphosphates-atom2" elementType="C" x2="13067.0" y2="-3642.0"/> <atom id="Ribonucleoside-Diphosphates-atom3" elementType="C" x2="15616.0" y2="4204.0"/> <atom id="Ribonucleoside-Diphosphates-atom4" elementType="C" x2="23866.0" y2="4204.0"/> <atom id="Ribonucleoside-Diphosphates-atom5" elementType="C" x2="26415.0" y2="-3642.0"/> <atom id="Ribonucleoside-Diphosphates-atom6" elementType="O" x2="9782.0" y2="10038.0"/> <atom id="Ribonucleoside-Diphosphates-atom7" elementType="O" x2="29700.0" y2="10038.0"/> <atom id="Ribonucleoside-Diphosphates-atom8" elementType="R" x2="32249.0" y2="-9475.0"/> <atom id="Ribonucleoside-Diphosphates-atom9" elementType="C" x2="5922.0" y2="-7767.0"/> <atom id="Ribonucleoside-Diphosphates-atom10" elementType="O" x2="1797.0" y2="-14911.0"/> <atom id="Ribonucleoside-Diphosphates-atom11" elementType="P" x2="-6453.0" y2="-14911.0"/> <atom id="Ribonucleoside-Diphosphates-atom12" elementType="O" x2="-6453.0" y2="-23161.0" formalCharge="-1"/> <atom id="Ribonucleoside-Diphosphates-atom13" elementType="O" x2="-14703.0" y2="-14911.0"/> <atom id="Ribonucleoside-Diphosphates-atom14" elementType="O" x2="-6453.0" y2="-6661.0"/> <atom id="Ribonucleoside-Diphosphates-atom15" elementType="P" x2="-22953.0" y2="-14911.0"/> <atom id="Ribonucleoside-Diphosphates-atom16" elementType="O" x2="-31203.0" y2="-14911.0" formalCharge="-1"/> <atom id="Ribonucleoside-Diphosphates-atom17" elementType="O" x2="-22953.0" y2="-23161.0" formalCharge="-1"/> <atom id="Ribonucleoside-Diphosphates-atom18" elementType="O" x2="-22953.0" y2="-6661.0"/> </atomArray> <bondArray> <bond id="Ribonucleoside-Diphosphates-bond1" atomRefs="Ribonucleoside-Diphosphates-atom1 Ribonucleoside-Diphosphates-atom2" order="1"/> <bond id…

CHEBI CHEBI:47781
structure data: InChI%3D1S%2FC18H22N2%2Fc1-19-13-6-14-20-17-9-4-2-7-15%2817%2911-12-16-8-3-5-10-18%2816%2920%2Fh2-5%2C7-10%2C19H%2C6%2C11-14H2%2C1H3

biopax-level3ChemicalStructure143664
structure data: <cml> <molecule id="Mannosyl5-N-acetyl-glucosamine2-R" title="a (mannosyl)5-(N-acetylglucosaminyl)-R" formalCharge="0" dictRef="dictMannosyl5-N-acetyl-glucosamine2-R"> <atomArray> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom1" elementType="O" x2="-137304.0" y2="-40956.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom2" elementType="C" x2="-144448.0" y2="-36830.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom3" elementType="C" x2="-144448.0" y2="-28580.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom4" elementType="C" x2="-137304.0" y2="-24455.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom5" elementType="C" x2="-130159.0" y2="-28580.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom6" elementType="C" x2="-130159.0" y2="-36830.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom7" elementType="O" x2="-137304.0" y2="-16205.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom8" elementType="O" x2="-151593.0" y2="-24455.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom9" elementType="O" x2="-123014.0" y2="-24455.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom10" elementType="O" x2="-121379.0" y2="-41780.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom11" elementType="C" x2="-151593.0" y2="-40955.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom12" elementType="O" x2="-158738.0" y2="-36830.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom13" elementType="C" x2="-114234.0" y2="-37655.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom14" elementType="C" x2="-107089.0" y2="-33530.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom15" elementType="O" x2="-99945.0" y2="-37655.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom16" elementType="C" x2="-107089.0" y2="-25280.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom17" elementType="C" x2="-99945.0" y2="-21155.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom18" elementType="C" x2="-92800.0" y2="-25280.0"/> <atom id="Mannosyl5-N-acetyl-glucosamine2-R-atom19…

CHEBI CHEBI:44639
structure data: InChI%3D1S%2FC4H11N%2Fc1-4%282%2C3%295%2Fh5H2%2C1-3H3

CHEBI CHEBI:64259
structure data: InChI%3D1S%2FC10H16O2%2Fc1-4-10%283%2C12%297-5-6-9%282%298-11%2Fh4%2C6%2C8%2C12H%2C1%2C5%2C7H2%2C2-3H3%2Fb9-6%2B

CHEBI CHEBI:17203
structure data: InChI%3D1S%2FC5H9NO2%2Fc7-5%288%294-2-1-3-6-4%2Fh4%2C6H%2C1-3H2%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:60039
structure data: InChI%3D1S%2FC5H9NO2%2Fc7-5%288%294-2-1-3-6-4%2Fh4%2C6H%2C1-3H2%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:15753
structure data: InChI%3D1S%2FC6H8O5%2Fc7-4%286%2810%2911%292-1-3-5%288%299%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29

biopax-level3ChemicalStructure173945
structure data: <atom id="CPD-2749-atom1" elementType="O" x2="4263.0" y2="-1516.0"/> <atom id="CPD-2749-atom2" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-2749-atom3" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-2749-atom4" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-2749-atom5" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-2749-atom6" elementType="C" x2="3121.0" y2="-2539.0"/> <atom id="CPD-2749-atom7" elementType="C" x2="2305.0" y2="-2418.0"/> <atom id="CPD-2749-atom8" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-2749-atom9" elementType="C" x2="3489.0" y2="-1800.0"/> <atom id="CPD-2749-atom10" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-2749-atom11" elementType="N" x2="2899.0" y2="-1223.0"/> <atom id="CPD-2749-atom12" elementType="C" x2="2168.0" y2="-1605.0"/> <bond id="CPD-2749-bond1" atomRefs="CPD-2749-atom12 CPD-2749-atom11" order="1"/> <bond id="CPD-2749-bond2" atomRefs="CPD-2749-atom10 CPD-2749-atom12" order="1"/> <bond id="CPD-2749-bond3" atomRefs="CPD-2749-atom9 CPD-2749-atom11" order="1"/> <bond id="CPD-2749-bond4" atomRefs="CPD-2749-atom7 CPD-2749-atom12" order="1"/> <bond id="CPD-2749-bond5" atomRefs="CPD-2749-atom6 CPD-2749-atom9" order="1"/> <bond id="CPD-2749-bond6" atomRefs="CPD-2749-atom6 CPD-2749-atom7" order="1"/> <bond id="CPD-2749-bond7" atomRefs="CPD-2749-atom10 CPD-2749-atom5" order="2"/> <bond id="CPD-2749-bond8" atomRefs="CPD-2749-atom5 CPD-2749-atom8" order="1"/> <bond id="CPD-2749-bond9" atomRefs="CPD-2749-atom4 CPD-2749-atom10" order="1"/> <bond id="CPD-2749-bond10" atomRefs="CPD-2749-atom8 CPD-2749-atom3" order="2"/> <bond id="CPD-2749-bond11" atomRefs="CPD-2749-atom2 CPD-2749-atom4" order="2"/> <bond id="CPD-2749-bond12" atomRefs="CPD-2749-atom3 CPD-2749-atom2" order="1"/> <bond id="CPD-2749-bond13" atomRefs="CPD-2749-atom1 CPD-2749-atom9" order="2"/> <formula concise="H 10 N 2 C 9 O 1"/> 162.191 C1(N=CC=CC=1C2(CCC(=O)N2))

biopax-level3ChemicalStructure147254
structure data: <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom1" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom2" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom3" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom4" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom5" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom6" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom7" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom8" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom9" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom10" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom11" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom12" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom13" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom14" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom15" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom16" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom17" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom18" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom19" elementType="P" x2="4365.0" y2="-825.0"/> <atom id="D-MYO-INOSITOL-34-BISPHOSPHATE-atom20" elementType="P" x2="2208.0" y2="-2089.0"/> <bond id="D-MYO-INOSITOL-34-BISPHOSPHATE-bond1" atomRefs="D-MYO-INOSITOL-34-BISPHOSPHATE-atom17 D-MYO-IN…

biopax-level3ChemicalStructure166535
structure data: <cml> <molecule id="Protein-L-lysine" title="a [protein]-L-lysine" formalCharge="1" dictRef="dictProtein-L-lysine"> <atomArray> <atom id="Protein-L-lysine-atom1" elementType="N" x2="0.0" y2="-1031.0" formalCharge="1"/> <atom id="Protein-L-lysine-atom2" elementType="O" x2="4175.0" y2="0.0"/> <atom id="Protein-L-lysine-atom3" elementType="Protein" x2="5204.0" y2="-1286.0"/> <atom id="Protein-L-lysine-atom4" elementType="C" x2="734.0" y2="-1408.0"/> <atom id="Protein-L-lysine-atom5" elementType="C" x2="1448.0" y2="-996.0"/> <atom id="Protein-L-lysine-atom6" elementType="C" x2="2162.0" y2="-1408.0"/> <atom id="Protein-L-lysine-atom7" elementType="C" x2="2877.0" y2="-996.0"/> <atom id="Protein-L-lysine-atom8" elementType="C" x2="4175.0" y2="-825.0"/> <atom id="Protein-L-lysine-atom9" elementType="C" x2="3591.0" y2="-1408.0"/> <atom id="Protein-L-lysine-atom10" elementType="N" x2="3591.0" y2="-2233.0"/> <atom id="Protein-L-lysine-atom11" elementType="Protein" x2="4655.0" y2="-2835.0"/> </atomArray> <bondArray> <bond id="Protein-L-lysine-bond1" atomRefs="Protein-L-lysine-atom10 Protein-L-lysine-atom11" order="1"/> <bond id="Protein-L-lysine-bond2" atomRefs="Protein-L-lysine-atom1 Protein-L-lysine-atom4" order="1"/> <bond id="Protein-L-lysine-bond3" atomRefs="Protein-L-lysine-atom9 Protein-L-lysine-atom10" order="1"/> <bond id="Protein-L-lysine-bond4" atomRefs="Protein-L-lysine-atom2 Protein-L-lysine-atom8" order="2"/> <bond id="Protein-L-lysine-bond5" atomRefs="Protein-L-lysine-atom3 Protein-L-lysine-atom8" order="1"/> <bond id="Protein-L-lysine-bond6" atomRefs="Protein-L-lysine-atom4 Protein-L-lysine-atom5" order="1"/> <bond id="Protein-L-lysine-bond7" atomRefs="Protein-L-lysine-atom5 Protein-L-lysine-atom6" order="1"/> <bond id="Protein-L-lysine-bond8" atomRefs="Protein-L-lysine-atom6 Protein-L-lysine-atom7" order="1"/> <bond id="Protein-L-lysine-bond9" atomRefs="Protein-L-lysine-atom7 Protein-L-lysine-atom9" order="1"/> <bond id="Protein-L-lysine-bond10" atomRefs="Prote…

CHEBI CHEBI:57887
structure data: InChI%3D1S%2FC10H12N2%2Fc11-6-5-8-7-12-10-4-2-1-3-9%288%2910%2Fh1-4%2C7%2C12H%2C5-6%2C11H2%2Fp%2B1

CHEBI CHEBI:45478
structure data: InChI%3D1S%2FC18H34O3%2Fc1-2-3-4-11-14-17%2819%2915-12-9-7-5-6-8-10-13-16-18%2820%2921%2Fh9%2C12%2C17%2C19H%2C2-8%2C10-11%2C13-16H2%2C1H3%2C%28H%2C20%2C21%29%2Fb12-9%2B%2Ft17-%2Fm1%2Fs1

CHEBI CHEBI:19144
structure data: InChI%3D1S%2FC12H20O3%2Fc13-11-9-7-5-3-1-2-4-6-8-10-12%2814%2915%2Fh7%2C9%2C11H%2C1-6%2C8%2C10H2%2C%28H%2C14%2C15%29%2Fb9-7%2B

biopax-level3ChemicalStructure170655
structure data: <atom id="CPD-206-atom1" elementType="C" x2="2165360.0" y2="-87420.0"/> <atom id="CPD-206-atom2" elementType="C" x2="2093920.0" y2="-211170.0"/> <atom id="CPD-206-atom3" elementType="C" x2="1808130.0" y2="-211170.0"/> <atom id="CPD-206-atom4" elementType="C" x2="1522350.0" y2="-211170.0"/> <atom id="CPD-206-atom5" elementType="C" x2="1236560.0" y2="-211170.0"/> <atom id="CPD-206-atom6" elementType="C" x2="312840.0" y2="-22160.0"/> <atom id="CPD-206-atom7" elementType="C" x2="310150.0" y2="-184450.0"/> <atom id="CPD-206-atom8" elementType="N" x2="357440.0" y2="-820300.0"/> <atom id="CPD-206-atom9" elementType="O" x2="740590.0" y2="-16740.0"/> <atom id="CPD-206-atom10" elementType="O" x2="1094500.0" y2="-221100.0"/> <atom id="CPD-206-atom11" elementType="O" x2="454800.0" y2="-16700.0"/> <atom id="CPD-206-atom12" elementType="O" x2="300160.0" y2="-250780.0"/> <atom id="CPD-206-atom13" elementType="O" x2="0.0" y2="-441880.0"/> <atom id="CPD-206-atom14" elementType="O" x2="470.0" y2="-99040.0"/> <atom id="CPD-206-atom15" elementType="O" x2="383320.0" y2="-222930.0"/> <atom id="CPD-206-atom16" elementType="O" x2="563610.0" y2="-325610.0"/> <atom id="CPD-206-atom17" elementType="O" x2="307170.0" y2="-412180.0" formalCharge="-1"/> <atom id="CPD-206-atom18" elementType="O" x2="220140.0" y2="-331710.0" formalCharge="-1"/> <atom id="CPD-206-atom19" elementType="O" x2="83540.0" y2="-523860.0" formalCharge="-1"/> <atom id="CPD-206-atom20" elementType="O" x2="81940.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-206-atom21" elementType="C" x2="286220.0" y2="-613140.0"/> <atom id="CPD-206-atom22" elementType="C" x2="574420.0" y2="-696550.0"/> <atom id="CPD-206-atom23" elementType="C" x2="1951030.0" y2="-128670.0"/> <atom id="CPD-206-atom24" elementType="C" x2="1665240.0" y2="-128670.0"/> <atom id="CPD-206-atom25" elementType="C" x2="1379450.0" y2="-128670.0"/> <atom id="CPD-206-atom26" elementType="C" x2="883470.0" y2="-99260.0"/> <atom id="CPD-206-atom27" elementType="C" x2="597680…

CHEBI CHEBI:64681
structure data: InChI%3D1S%2FC12H14O7%2Fc13-7-8%2814%2910%2811%2816%2917%2919-12%289%287%2915%2918-6-4-2-1-3-5-6%2Fh1-5%2C7-10%2C12-15H%2C%28H%2C16%2C17%29%2Ft7-%2C8-%2C9%2B%2C10-%2C12%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure150601
structure data: <atom id="CPD-12015-atom1" elementType="C" x2="-16499.0" y2="-1179.0"/> <atom id="CPD-12015-atom2" elementType="C" x2="-23644.0" y2="2946.0"/> <atom id="CPD-12015-atom3" elementType="C" x2="-23644.0" y2="11197.0"/> <atom id="CPD-12015-atom4" elementType="C" x2="-16499.0" y2="15322.0"/> <atom id="CPD-12015-atom5" elementType="C" x2="3340.0" y2="7071.0"/> <atom id="CPD-12015-atom6" elementType="C" x2="-1510.0" y2="397.0"/> <atom id="CPD-12015-atom7" elementType="C" x2="-9355.0" y2="2946.0"/> <atom id="CPD-12015-atom8" elementType="C" x2="-9355.0" y2="11197.0"/> <atom id="CPD-12015-atom9" elementType="N" x2="-1510.0" y2="13746.0"/> <atom id="CPD-12015-atom10" elementType="O" x2="-30788.0" y2="-1179.0"/> <atom id="CPD-12015-atom11" elementType="O" x2="-30788.0" y2="15321.0"/> <atom id="CPD-12015-atom12" elementType="C" x2="-31552.0" y2="-9393.0"/> <atom id="CPD-12015-atom13" elementType="C" x2="2615.0" y2="-6747.0"/> <atom id="CPD-12015-atom14" elementType="C" x2="10865.0" y2="-6747.0"/> <atom id="CPD-12015-atom15" elementType="N" x2="14990.0" y2="-13892.0"/> <atom id="CPD-12015-atom16" elementType="C" x2="23239.0" y2="-13892.0"/> <atom id="CPD-12015-atom17" elementType="C" x2="27364.0" y2="-21036.0"/> <atom id="CPD-12015-atom18" elementType="O" x2="27364.0" y2="-6747.0"/> <atom id="CPD-12015-atom19" elementType="S" x2="-30788.0" y2="23570.0"/> <atom id="CPD-12015-atom20" elementType="O" x2="-39038.0" y2="23634.0"/> <atom id="CPD-12015-atom21" elementType="O" x2="-22539.0" y2="23645.0"/> <atom id="CPD-12015-atom22" elementType="O" x2="-30662.0" y2="31819.0"/> <bond id="CPD-12015-bond1" atomRefs="CPD-12015-atom1 CPD-12015-atom2" order="1"/> <bond id="CPD-12015-bond2" atomRefs="CPD-12015-atom2 CPD-12015-atom3" order="2"/> <bond id="CPD-12015-bond3" atomRefs="CPD-12015-atom3 CPD-12015-atom4" order="1"/> <bond id="CPD-12015-bond4" atomRefs="CPD-12015-atom4 CPD-12015-atom8" order="2"/> <bond id="CPD-12015-bond5" atomRefs="CPD-12015-atom1 CPD-12015-atom7" order="2"/> <bond id…

biopax-level3ChemicalStructure132871
structure data: <atom id="CPD-196-atom1" elementType="C" x2="56425.0" y2="62398.0"/> <atom id="CPD-196-atom2" elementType="C" x2="9695.0" y2="62398.0"/> <atom id="CPD-196-atom3" elementType="C" x2="44791.0" y2="69184.0"/> <atom id="CPD-196-atom4" elementType="C" x2="80082.0" y2="62398.0"/> <atom id="CPD-196-atom5" elementType="C" x2="21329.0" y2="69184.0"/> <atom id="CPD-196-atom6" elementType="C" x2="91716.0" y2="69184.0"/> <atom id="CPD-196-atom7" elementType="C" x2="32963.0" y2="62398.0"/> <atom id="CPD-196-atom8" elementType="C" x2="68254.0" y2="69184.0"/> <atom id="CPD-196-atom9" elementType="O" x2="-2133.0" y2="69184.0"/> <atom id="CPD-196-atom10" elementType="C" x2="-54670.0" y2="76041.0"/> <atom id="CPD-196-atom11" elementType="O" x2="-79612.0" y2="48409.0" formalCharge="-1"/> <atom id="CPD-196-atom12" elementType="O" x2="-56602.0" y2="90612.0"/> <atom id="CPD-196-atom13" elementType="O" x2="-62180.0" y2="38189.0" formalCharge="-1"/> <atom id="CPD-196-atom14" elementType="N" x2="-46424.0" y2="75831.0"/> <atom id="CPD-196-atom15" elementType="N" x2="-42917.0" y2="90489.0"/> <atom id="CPD-196-atom16" elementType="O" x2="-80023.0" y2="60331.0"/> <atom id="CPD-196-atom17" elementType="N" x2="-33838.0" y2="71386.0"/> <atom id="CPD-196-atom18" elementType="N" x2="-36793.0" y2="27223.0"/> <atom id="CPD-196-atom19" elementType="O" x2="-84118.0" y2="90956.0" formalCharge="-1"/> <atom id="CPD-196-atom20" elementType="O" x2="-67946.0" y2="48331.0"/> <atom id="CPD-196-atom21" elementType="C" x2="-67257.0" y2="80484.0"/> <atom id="CPD-196-atom22" elementType="C" x2="-58477.0" y2="24752.0"/> <atom id="CPD-196-atom23" elementType="C" x2="-41409.0" y2="82380.0"/> <atom id="CPD-196-atom24" elementType="P" x2="-73741.0" y2="54203.0"/> <atom id="CPD-196-atom25" elementType="C" x2="-36651.0" y2="95852.0"/> <atom id="CPD-196-atom26" elementType="O" x2="-59687.0" y2="69491.0"/> <atom id="CPD-196-atom27" elementType="O" x2="-68350.0" y2="95813.0"/> <atom id="CPD-196-atom28" elementType="O" x2="-7…

CHEBI CHEBI:28834
structure data: InChI%3D1S%2FC24H40O4%2Fc1-14%284-9-22%2827%2928%2918-7-8-19-17-6-5-15-12-16%2825%2910-11-23%2815%2C2%2920%2817%2913-21%2826%2924%2818%2C19%293%2Fh14-21%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15-%2C16-%2C17%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2C23%2B%2C24-%2Fm1%2Fs1

biopax-level3ChemicalStructure167348
structure data: <cml> <molecule id="Long-Chain-234-Saturated-acyl-CoAs" title="a long-chain 2,3,4-saturated fatty acyl CoA" formalCharge="-4"> <atomArray> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom1" elementType="O" x2="-22460.0" y2="-625670.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom2" elementType="C" x2="-22460.0" y2="-544460.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom3" elementType="C" x2="67210.0" y2="-492020.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom4" elementType="C" x2="-621110.0" y2="-19120.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom5" elementType="O" x2="-941480.0" y2="-208710.0" formalCharge="-1"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom6" elementType="O" x2="-596180.0" y2="125750.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom7" elementType="O" x2="-805460.0" y2="-358160.0" formalCharge="-1"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom8" elementType="N" x2="-543000.0" y2="-45660.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom9" elementType="N" x2="-465890.0" y2="83850.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom10" elementType="O" x2="-909920.0" y2="-93660.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom11" elementType="N" x2="-436060.0" y2="-125560.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom12" elementType="N" x2="-595700.0" y2="-538420.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom13" elementType="O" x2="-857870.0" y2="210920.0" formalCharge="-1"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom14" elementType="O" x2="-830330.0" y2="-244170.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom15" elementType="C" x2="-728050.0" y2="60760.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom16" elementType="C" x2="-810100.0" y2="-497480.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom17" elementType="C" x2="-475610.0" y2="1930.0"/> <atom id="Long-Chain-234-Saturated-acyl-CoAs-atom18" elementType="P" x2="-868170.0" y2="-170860.0"/> <atom id="Long…

biopax-level3ChemicalStructure160201
structure data: <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="ALPHA-D-MANNOSYLCHITOBIO-ato…

CHEBI CHEBI:17998
structure data: InChI%3D1S%2FC6H12O%2Fc1-6%282%294-3-5-7%2Fh5-6H%2C3-4H2%2C1-2H3

CHEBI CHEBI:46097
structure data: InChI%3D1S%2FC4H11NO3%2Fc5-4%281-6%2C2-7%293-8%2Fh6-8H%2C1-3%2C5H2%2Fp%2B1

CHEBI CHEBI:6933
structure data: InChI%3D1S%2FC12H18N2O4%2Fc1-17-8-3-4-11%2818-2%299%285-8%2910%2815%297-14-12%2816%296-13%2Fh3-5%2C10%2C15H%2C6-7%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29

CHEBI CHEBI:17363
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-3%287%295%289%294%288%292-13-14%2810%2C11%2912%2Fh4-6%2C8-9H%2C1-2H2%2C%28H2%2C10%2C11%2C12%29%2Ft4-%2C5%2B%2Fm1%2Fs1

CHEBI CHEBI:62604
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29

CHEBI CHEBI:9261
structure data: InChI%3D1S%2FC19H34O2%2Fc1-2-3-4-5-7-10-13-17-16-18%2817%2914-11-8-6-9-12-15-19%2820%2921%2Fh2-16H2%2C1H3%2C%28H%2C20%2C21%29

CHEBI CHEBI:16389
structure data: InChI%3D1S%2FC14H18O4%2Fc1-8%282%296-7-10-9%283%2911%2815%2913%2817-4%2914%2818-5%2912%2810%2916%2Fh6H%2C7H2%2C1-5H3

CHEBI CHEBI:46234
structure data: InChI%3D1S%2FC14H18O4%2Fc1-8%282%296-7-10-9%283%2911%2815%2913%2817-4%2914%2818-5%2912%2810%2916%2Fh6H%2C7H2%2C1-5H3

CHEBI CHEBI:26642
structure data: InChI%3D1S%2FH2O3Se%2Fc1-4%282%293%2Fh%28H2%2C1%2C2%2C3%29

CHEBI CHEBI:16060
structure data: InChI%3D1S%2FC19H22N2O%2Fc1-2-11-9-21-17-8-14-12-5-3-4-6-16%2812%2920-19%2814%2918%2821%297-13%2811%2915%2817%2910-22%2Fh2-6%2C13%2C15%2C17-18%2C20%2C22H%2C7-10H2%2C1H3%2Fb11-2-%2Ft13-%2C15%2B%2C17%2B%2C18-%2Fm0%2Fs1

CHEBI CHEBI:27906
structure data: InChI%3D1S%2FC9H10O4%2Fc1-5-4-6%2810%298%2812-2%299%2813-3%297%285%2911%2Fh4H%2C1-3H3

biopax-level3ChemicalStructure165241
structure data: <atom id="S-PRENYL-L-CYSTEINE-atom1" elementType="C" x2="5669.0" y2="-759.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom2" elementType="C" x2="4958.0" y2="-1991.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom3" elementType="N" x2="1431.0" y2="0.0" formalCharge="1"/> <atom id="S-PRENYL-L-CYSTEINE-atom4" elementType="O" x2="749.0" y2="-2095.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom5" elementType="O" x2="0.0" y2="-920.0" formalCharge="-1"/> <atom id="S-PRENYL-L-CYSTEINE-atom6" elementType="C" x2="4228.0" y2="-787.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom7" elementType="C" x2="3545.0" y2="-1251.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom8" elementType="C" x2="2133.0" y2="-1261.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom9" elementType="S" x2="2834.0" y2="-834.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom10" elementType="C" x2="4958.0" y2="-1176.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom11" elementType="C" x2="749.0" y2="-1270.0"/> <atom id="S-PRENYL-L-CYSTEINE-atom12" elementType="C" x2="1431.0" y2="-825.0"/> <bond id="S-PRENYL-L-CYSTEINE-bond1" atomRefs="S-PRENYL-L-CYSTEINE-atom11 S-PRENYL-L-CYSTEINE-atom12" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond2" atomRefs="S-PRENYL-L-CYSTEINE-atom8 S-PRENYL-L-CYSTEINE-atom12" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond3" atomRefs="S-PRENYL-L-CYSTEINE-atom8 S-PRENYL-L-CYSTEINE-atom9" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond4" atomRefs="S-PRENYL-L-CYSTEINE-atom7 S-PRENYL-L-CYSTEINE-atom9" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond5" atomRefs="S-PRENYL-L-CYSTEINE-atom6 S-PRENYL-L-CYSTEINE-atom10" order="2"/> <bond id="S-PRENYL-L-CYSTEINE-bond6" atomRefs="S-PRENYL-L-CYSTEINE-atom6 S-PRENYL-L-CYSTEINE-atom7" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond7" atomRefs="S-PRENYL-L-CYSTEINE-atom5 S-PRENYL-L-CYSTEINE-atom11" order="1"/> <bond id="S-PRENYL-L-CYSTEINE-bond8" atomRefs="S-PRENYL-L-CYSTEINE-atom4 S-PRENYL-L-CYSTEINE-atom11" order="2"/> <bond id="S-PRENYL-L-CYSTEINE-bond9" atomRefs="S-PRENYL-L-CYSTEINE-atom12 S-PRENYL-L-CYSTEINE-atom3" order="1"/> <…

CHEBI CHEBI:28875
structure data: InChI%3D1S%2FC14H28O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2815%2916%2Fh2-13H2%2C1H3%2C%28H%2C15%2C16%29

CHEBI CHEBI:44884
structure data: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

CHEBI CHEBI:15729
structure data: InChI%3D1S%2FC5H12N2O2%2Fc6-3-1-2-4%287%295%288%299%2Fh4H%2C1-3%2C6-7H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:9402
structure data: InChI%3D1S%2FC30H50O%2Fc1-25%282%2917-18-27%285%2913-9-21-29%287%2914-10-20-26%283%2C4%2924%2831%2912-16-28%2820%2C6%2922%2829%2911-15-30%2821%2C8%2923%2827%2919-25%2Fh9%2C20%2C22-24%2C31H%2C10-19H2%2C1-8H3%2Ft20-%2C22%2B%2C23%2B%2C24-%2C27-%2C28-%2C29-%2C30%2B%2Fm0%2Fs1

CHEBI CHEBI:9150
structure data: InChI%3D1S%2FC25H38O5%2Fc1-6-25%284%2C5%2924%2828%2930-21-12-15%282%2911-17-8-7-16%283%2920%2823%2817%2921%2910-9-19-13-18%2826%2914-22%2827%2929-19%2Fh7-8%2C11%2C15-16%2C18-21%2C23%2C26H%2C6%2C9-10%2C12-14H2%2C1-5H3%2Ft15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21-%2C23-%2Fm0%2Fs1

CHEBI CHEBI:1294
structure data: InChI%3D1S%2FC27H46O3%2Fc1-17%282%296-11-24%2829%2927%285%2C30%2923-10-9-21-20-8-7-18-16-19%2828%2912-14-25%2818%2C3%2922%2820%2913-15-26%2821%2C23%294%2Fh7%2C17%2C19-24%2C28-30H%2C6%2C8-16H2%2C1-5H3%2Ft19-%2C20-%2C21-%2C22-%2C23-%2C24%2B%2C25-%2C26-%2C27%2B%2Fm0%2Fs1

CHEBI CHEBI:16301
structure data: InChI%3D1S%2FHNO2%2Fc2-1-3%2Fh%28H%2C2%2C3%29%2Fp-1

biopax-level3ChemicalStructure132174
structure data: <cml> <molecule id="CPD-8601" title="APO-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]" formalCharge="0" dictRef="dictCPD-8601"> <atomArray> <atom id="CPD-8601-atom1" elementType="N" x2="-29096.0" y2="-21804.0"/> <atom id="CPD-8601-atom2" elementType="C" x2="-21952.0" y2="-17679.0"/> <atom id="CPD-8601-atom3" elementType="C" x2="-14807.0" y2="-21804.0"/> <atom id="CPD-8601-atom4" elementType="C" x2="-7662.0" y2="-17679.0"/> <atom id="CPD-8601-atom5" elementType="C" x2="-518.0" y2="-21804.0"/> <atom id="CPD-8601-atom6" elementType="C" x2="6627.0" y2="-17679.0"/> <atom id="CPD-8601-atom7" elementType="C" x2="13772.0" y2="-21804.0"/> <atom id="CPD-8601-atom8" elementType="N" x2="20917.0" y2="-17679.0"/> <atom id="CPD-8601-atom9" elementType="R2" x2="28061.0" y2="-21804.0"/> <atom id="CPD-8601-atom10" elementType="N" x2="6627.0" y2="-9429.0"/> <atom id="CPD-8601-atom11" elementType="O" x2="13772.0" y2="-30054.0"/> <atom id="CPD-8601-atom12" elementType="C" x2="13772.0" y2="-5304.0"/> <atom id="CPD-8601-atom13" elementType="O" x2="20917.0" y2="-9429.0"/> <atom id="CPD-8601-atom14" elementType="R1" x2="13772.0" y2="2946.0"/> </atomArray> <bondArray> <bond id="CPD-8601-bond1" atomRefs="CPD-8601-atom1 CPD-8601-atom2" order="1"/> <bond id="CPD-8601-bond2" atomRefs="CPD-8601-atom2 CPD-8601-atom3" order="1"/> <bond id="CPD-8601-bond3" atomRefs="CPD-8601-atom3 CPD-8601-atom4" order="1"/> <bond id="CPD-8601-bond4" atomRefs="CPD-8601-atom4 CPD-8601-atom5" order="1"/> <bond id="CPD-8601-bond5" atomRefs="CPD-8601-atom5 CPD-8601-atom6" order="1"/> <bond id="CPD-8601-bond6" atomRefs="CPD-8601-atom6 CPD-8601-atom7" order="1"/> <bond id="CPD-8601-bond7" atomRefs="CPD-8601-atom7 CPD-8601-atom8" order="1"/> <bond id="CPD-8601-bond8" atomRefs="CPD-8601-atom8 CPD-8601-atom9" order="1"/> <bond id="CPD-8601-bond9" atomRefs="CPD-8601-atom6 CPD-8601-atom10" order="1"/> <bond id="CPD-8601-bond10" atomRefs="CPD-8601-atom7 CPD-8601-atom11" order="2"/> <bond id="CPD-8601-bond11" atom…

CHEBI CHEBI:57762
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-3%282%294%286%295%287%298%2Fh3-4H%2C6H2%2C1-2H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:16414
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-3%282%294%286%295%287%298%2Fh3-4H%2C6H2%2C1-2H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:23297
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29%2Fp-1%2Fb6-5-

CHEBI CHEBI:15364
structure data: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)/p-1

CHEBI CHEBI:2208
structure data: InChI%3D1S%2FC5H4N4S%2Fc10-5-3-4%287-1-6-3%298-2-9-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29

CHEBI CHEBI:64187
structure data: InChI%3D1S%2FC10H15N3O5%2Fc11-6%284-14%2910%2818%2913-12-3-5-1-2-7%2815%299%2817%298%285%2916%2Fh1-2%2C6%2C12%2C14-17H%2C3-4%2C11H2%2C%28H%2C13%2C18%29

biopax-level3ChemicalStructure148617
structure data: <atom id="STEAROYL-COA-atom1" elementType="C" x2="173229.0" y2="-112541.0"/> <atom id="STEAROYL-COA-atom2" elementType="C" x2="29512.0" y2="-21007.0"/> <atom id="STEAROYL-COA-atom3" elementType="C" x2="29512.0" y2="-4673.0"/> <atom id="STEAROYL-COA-atom4" elementType="N" x2="12172.0" y2="-75695.0"/> <atom id="STEAROYL-COA-atom5" elementType="O" x2="71690.0" y2="-20339.0"/> <atom id="STEAROYL-COA-atom6" elementType="O" x2="107201.0" y2="-1006.0"/> <atom id="STEAROYL-COA-atom7" elementType="O" x2="43349.0" y2="-20842.0"/> <atom id="STEAROYL-COA-atom8" elementType="O" x2="51516.0" y2="-19177.0"/> <atom id="STEAROYL-COA-atom9" elementType="O" x2="0.0" y2="-31011.0"/> <atom id="STEAROYL-COA-atom10" elementType="O" x2="0.0" y2="-14504.0"/> <atom id="STEAROYL-COA-atom11" elementType="O" x2="36343.0" y2="0.0"/> <atom id="STEAROYL-COA-atom12" elementType="O" x2="48854.0" y2="-44181.0"/> <atom id="STEAROYL-COA-atom13" elementType="O" x2="51516.0" y2="-35511.0" formalCharge="-1"/> <atom id="STEAROYL-COA-atom14" elementType="O" x2="59691.0" y2="-27344.0" formalCharge="-1"/> <atom id="STEAROYL-COA-atom15" elementType="O" x2="8167.0" y2="-39178.0" formalCharge="-1"/> <atom id="STEAROYL-COA-atom16" elementType="O" x2="8167.0" y2="-6338.0" formalCharge="-1"/> <atom id="STEAROYL-COA-atom17" elementType="C" x2="5002.0" y2="-55191.0"/> <atom id="STEAROYL-COA-atom18" elementType="C" x2="34514.0" y2="-63020.0"/> <atom id="STEAROYL-COA-atom19" elementType="C" x2="166060.0" y2="-108372.0"/> <atom id="STEAROYL-COA-atom20" elementType="C" x2="165895.0" y2="-100040.0"/> <atom id="STEAROYL-COA-atom21" elementType="C" x2="158725.0" y2="-96034.0"/> <atom id="STEAROYL-COA-atom22" elementType="C" x2="158552.0" y2="-87703.0"/> <atom id="STEAROYL-COA-atom23" elementType="C" x2="151390.0" y2="-83368.0"/> <atom id="STEAROYL-COA-atom24" elementType="C" x2="151217.0" y2="-75028.0"/> <atom id="STEAROYL-COA-atom25" elementType="C" x2="143883.0" y2="-71031.0"/> <atom id="STEAROYL-COA-atom26" elementType="…

CHEBI CHEBI:35331
structure data: InChI%3D1S%2FC40H58O%2Fc1-33%282%2919-13-22-36%285%2925-16-28-37%286%2926-14-23-34%283%2920-11-12-21-35%284%2924-15-27-38%287%2929-17-30-39%288%2931-18-32-40%289%2C10%2941%2Fh11-12%2C14-17%2C19-21%2C23-30%2C41H%2C13%2C18%2C22%2C31-32H2%2C1-10H3%2Fb12-11%2B%2C23-14%2B%2C24-15%2B%2C28-16%2B%2C29-17%2B%2C34-20%2B%2C35-21%2B%2C36-25%2B%2C37-26%2B%2C38-27%2B%2C39-30%2B

biopax-level3ChemicalStructure158788
structure data: 3)-beta-D-galactose-(1->3)-(alpha-N-acetylneuraminyl-(2->6))-N-acetyl-D-galactosaminyl-R" formalCharge="0" dictRef="dictALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC"> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom1" elementType="C" x2="2407.0" y2="-12876.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom2" elementType="C" x2="14500.0" y2="-980.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom3" elementType="C" x2="14332.0" y2="-9685.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom4" elementType="O" x2="4815.0" y2="-11924.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom5" elementType="O" x2="12092.0" y2="0.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom6" elementType="O" x2="16151.0" y2="-11421.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom7" elementType="O" x2="9685.0" y2="-16655.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom8" elementType="O" x2="8118.0" y2="-3806.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom9" elementType="O" x2="0.0" y2="-16767.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom10" elementType="O" x2="17523.0" y2="-3891.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom11" elementType="O" x2="4983.0" y2="-9461.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom12" elementType="O" x2="8453.0" y2="-18754.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom13" elementType="O" x2="8006.0" y2="-6046.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom14" elementType="O" x2="2352.0" y2="-15311.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom15" elementType="O" x2="14920.0" y2="-2938.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom16" elementType="O" x2="6046.0" y2="-13156.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom17" elementType="O" x2="10357.0" y2="-1736.0"/> <atom id="ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC-atom18" elementType="O" x2="3667.0" y2="-18754.0"/> <a…

CHEBI CHEBI:28542
structure data: InChI%3D1S%2FC5H11O7P%2Fc6-2-4-3%287%291-5%2811-4%2912-13%288%2C9%2910%2Fh3-7H%2C1-2H2%2C%28H2%2C8%2C9%2C10%29%2Ft3-%2C4%2B%2C5%3F%2Fm0%2Fs1

biopax-level3ChemicalStructure136774
structure data: <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom1" elementType="C" x2="41874.0" y2="-12764.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom2" elementType="O" x2="10274.0" y2="-11831.0" formalCharge="-1"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom3" elementType="C" x2="38761.0" y2="-18524.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom4" elementType="C" x2="-9340.0" y2="-33468.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom5" elementType="N" x2="28798.0" y2="623.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom6" elementType="O" x2="4359.0" y2="-42030.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom7" elementType="P" x2="34247.0" y2="-38761.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom8" elementType="C" x2="4359.0" y2="-33779.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom9" elementType="N" x2="-47011.0" y2="-8562.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom10" elementType="C" x2="46856.0" y2="8406.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom11" elementType="O" x2="34247.0" y2="-47011.0" formalCharge="-1"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom12" elementType="C" x2="10741.0" y2="-28954.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom13" elementType="C" x2="-47011.0" y2="-29732.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom14" elementType="O" x2="33935.0" y2="-8406.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom15" elementType="O" x2="-40629.0" y2="3425.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom16" elementType="N" x2="28020.0" y2="24284.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom17" elementType="O" x2="18369.0" y2="-3580.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom18" elementType="C" x2="-33624.0" y2="-29110.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom19" elementType="O" x2="38761.0" y2="-23506.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom20" elementType="O" x2="-5137.0" y2="4670.0"/> <atom id="2-METHYL-3-HYDROXY-BUTYRYL-COA-atom21" elementType="O" x2="10274.0" y2="4670.0"/> <atom id="2-…

biopax-level3ChemicalStructure142458
structure data: <atom id="CPD-12557-atom1" elementType="C" x2="5668.0" y2="-22875.0"/> <atom id="CPD-12557-atom2" elementType="C" x2="5668.0" y2="-14625.0"/> <atom id="CPD-12557-atom3" elementType="C" x2="12812.0" y2="-10500.0"/> <atom id="CPD-12557-atom4" elementType="C" x2="19957.0" y2="-14625.0"/> <atom id="CPD-12557-atom5" elementType="C" x2="19957.0" y2="-22875.0"/> <atom id="CPD-12557-atom6" elementType="O" x2="12812.0" y2="-27000.0"/> <atom id="CPD-12557-atom7" elementType="C" x2="-1477.0" y2="-27000.0"/> <atom id="CPD-12557-atom8" elementType="C" x2="34247.0" y2="-14625.0"/> <atom id="CPD-12557-atom9" elementType="C" x2="34247.0" y2="-22875.0"/> <atom id="CPD-12557-atom10" elementType="N" x2="27102.0" y2="-10500.0"/> <atom id="CPD-12557-atom11" elementType="O" x2="41391.0" y2="-10500.0"/> <atom id="CPD-12557-atom12" elementType="O" x2="27102.0" y2="-27000.0"/> <atom id="CPD-12557-atom13" elementType="O" x2="12812.0" y2="-2250.0"/> <atom id="CPD-12557-atom14" elementType="O" x2="-1477.0" y2="-10500.0"/> <atom id="CPD-12557-atom15" elementType="O" x2="-1477.0" y2="-35250.0"/> <bond id="CPD-12557-bond1" atomRefs="CPD-12557-atom8 CPD-12557-atom9" order="1"/> <bond id="CPD-12557-bond2" atomRefs="CPD-12557-atom8 CPD-12557-atom11" order="2"/> <bond id="CPD-12557-bond3" atomRefs="CPD-12557-atom10 CPD-12557-atom8" order="1"/> <bond id="CPD-12557-bond4" atomRefs="CPD-12557-atom2 CPD-12557-atom14" order="1"/> <bond id="CPD-12557-bond5" atomRefs="CPD-12557-atom3 CPD-12557-atom13" order="1"/> <bond id="CPD-12557-bond6" atomRefs="CPD-12557-atom4 CPD-12557-atom10" order="1"/> <bond id="CPD-12557-bond7" atomRefs="CPD-12557-atom5 CPD-12557-atom12" order="1"/> <bond id="CPD-12557-bond8" atomRefs="CPD-12557-atom7 CPD-12557-atom15" order="1"/> <bond id="CPD-12557-bond9" atomRefs="CPD-12557-atom1 CPD-12557-atom7" order="1"/> <bond id="CPD-12557-bond10" atomRefs="CPD-12557-atom4 CPD-12557-atom5" order="1"/> <bond id="CPD-12557-bond11" atomRefs="CPD-12557-atom3 CPD-12557-atom4" order="1"/> <bond …

CHEBI CHEBI:17380
structure data: InChI%3D1S%2FC10H12N2O4%2Fc11-6%2810%2815%2916%294-8%2814%295-2-1-3-7%2813%299%285%2912%2Fh1-3%2C6%2C13H%2C4%2C11-12H2%2C%28H%2C15%2C16%29%2Ft6-%2Fm0%2Fs1

biopax-level3ChemicalStructure142977
structure data: <atom id="CPD-12515-atom1" elementType="O" x2="0.0" y2="-209300.0"/> <atom id="CPD-12515-atom2" elementType="O" x2="71040.0" y2="-332350.0" formalCharge="-1"/> <atom id="CPD-12515-atom3" elementType="O" x2="212890.0" y2="-2400.0"/> <atom id="CPD-12515-atom4" elementType="O" x2="356190.0" y2="-85480.0"/> <atom id="CPD-12515-atom5" elementType="O" x2="70850.0" y2="-85680.0"/> <atom id="CPD-12515-atom6" elementType="O" x2="213120.0" y2="-250320.0"/> <atom id="CPD-12515-atom7" elementType="O" x2="355990.0" y2="-250520.0"/> <atom id="CPD-12515-atom8" elementType="C" x2="71040.0" y2="-250320.0"/> <atom id="CPD-12515-atom9" elementType="C" x2="213120.0" y2="-84430.0"/> <atom id="CPD-12515-atom10" elementType="C" x2="285070.0" y2="-126360.0"/> <atom id="CPD-12515-atom11" elementType="C" x2="142070.0" y2="-126360.0"/> <atom id="CPD-12515-atom12" elementType="C" x2="285070.0" y2="-209300.0"/> <atom id="CPD-12515-atom13" elementType="C" x2="142070.0" y2="-209300.0"/> <bond id="CPD-12515-bond1" atomRefs="CPD-12515-atom11 CPD-12515-atom13" order="1"/> <bond id="CPD-12515-bond2" atomRefs="CPD-12515-atom10 CPD-12515-atom12" order="1"/> <bond id="CPD-12515-bond3" atomRefs="CPD-12515-atom9 CPD-12515-atom11" order="1"/> <bond id="CPD-12515-bond4" atomRefs="CPD-12515-atom9 CPD-12515-atom10" order="1"/> <bond id="CPD-12515-bond5" atomRefs="CPD-12515-atom13 CPD-12515-atom8" order="1"/> <bond id="CPD-12515-bond6" atomRefs="CPD-12515-atom12 CPD-12515-atom7" order="1"/> <bond id="CPD-12515-bond7" atomRefs="CPD-12515-atom6 CPD-12515-atom13" order="1"/> <bond id="CPD-12515-bond8" atomRefs="CPD-12515-atom6 CPD-12515-atom12" order="1"/> <bond id="CPD-12515-bond9" atomRefs="CPD-12515-atom11 CPD-12515-atom5" order="1"/> <bond id="CPD-12515-bond10" atomRefs="CPD-12515-atom10 CPD-12515-atom4" order="1"/> <bond id="CPD-12515-bond11" atomRefs="CPD-12515-atom9 CPD-12515-atom3" order="1"/> <bond id="CPD-12515-bond12" atomRefs="CPD-12515-atom2 CPD-12515-atom8" order="1"/> <bond id="CPD-12515-bond13" at…

biopax-level3ChemicalStructure163030
structure data: <cml> <molecule id="GLYCYL-PEPTIDE" title="glycyl-peptide" formalCharge="0" dictRef="dictGLYCYL-PEPTIDE"> <atomArray> <atom id="GLYCYL-PEPTIDE-atom1" elementType="N" x2="1631.0" y2="1504.0"/> <atom id="GLYCYL-PEPTIDE-atom2" elementType="C" x2="1751.0" y2="1433.0"/> <atom id="GLYCYL-PEPTIDE-atom3" elementType="C" x2="1446.0" y2="1425.0"/> <atom id="GLYCYL-PEPTIDE-atom4" elementType="C" x2="1867.0" y2="1490.0"/> <atom id="GLYCYL-PEPTIDE-atom5" elementType="R" x2="1750.0" y2="1302.0"/> <atom id="GLYCYL-PEPTIDE-atom6" elementType="C" x2="1322.0" y2="1468.0"/> <atom id="GLYCYL-PEPTIDE-atom7" elementType="O" x2="1446.0" y2="1301.0"/> <atom id="GLYCYL-PEPTIDE-atom8" elementType="O" x2="1868.0" y2="1651.0"/> <atom id="GLYCYL-PEPTIDE-atom9" elementType="O" x2="1979.0" y2="1422.0"/> <atom id="GLYCYL-PEPTIDE-atom10" elementType="N" x2="1321.0" y2="1643.0"/> </atomArray> <bondArray> <bond id="GLYCYL-PEPTIDE-bond1" atomRefs="GLYCYL-PEPTIDE-atom6 GLYCYL-PEPTIDE-atom10" order="1"/> <bond id="GLYCYL-PEPTIDE-bond2" atomRefs="GLYCYL-PEPTIDE-atom4 GLYCYL-PEPTIDE-atom9" order="2"/> <bond id="GLYCYL-PEPTIDE-bond3" atomRefs="GLYCYL-PEPTIDE-atom4 GLYCYL-PEPTIDE-atom8" order="1"/> <bond id="GLYCYL-PEPTIDE-bond4" atomRefs="GLYCYL-PEPTIDE-atom3 GLYCYL-PEPTIDE-atom7" order="2"/> <bond id="GLYCYL-PEPTIDE-bond5" atomRefs="GLYCYL-PEPTIDE-atom3 GLYCYL-PEPTIDE-atom6" order="1"/> <bond id="GLYCYL-PEPTIDE-bond6" atomRefs="GLYCYL-PEPTIDE-atom2 GLYCYL-PEPTIDE-atom5" order="1"/> <bond id="GLYCYL-PEPTIDE-bond7" atomRefs="GLYCYL-PEPTIDE-atom2 GLYCYL-PEPTIDE-atom4" order="1"/> <bond id="GLYCYL-PEPTIDE-bond8" atomRefs="GLYCYL-PEPTIDE-atom1 GLYCYL-PEPTIDE-atom3" order="1"/> <bond id="GLYCYL-PEPTIDE-bond9" atomRefs="GLYCYL-PEPTIDE-atom1 GLYCYL-PEPTIDE-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(C(NC(CN)=O)[R])(O)=O</string> </molecule> </cml>

biopax-level3ChemicalStructure150436
structure data: <cml> <molecule id="Dermatan-NAcGal-4-sulfates" title="[dermatan]-4-O-sulfo-N-acetyl-D-galactosamine" formalCharge="-1" dictRef="dictDermatan-NAcGal-4-sulfates"> <atomArray> <atom id="Dermatan-NAcGal-4-sulfates-atom1" elementType="S" x2="1466.0" y2="1215.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom2" elementType="O" x2="1694.0" y2="1323.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom3" elementType="O" x2="1693.0" y2="1050.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom4" elementType="O" x2="1836.0" y2="1051.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom5" elementType="O" x2="1550.0" y2="1215.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom6" elementType="O" x2="1763.0" y2="1341.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom7" elementType="O" x2="1466.0" y2="1298.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom8" elementType="O" x2="1466.0" y2="1132.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom9" elementType="O" x2="1384.0" y2="1215.0" formalCharge="-1"/> <atom id="Dermatan-NAcGal-4-sulfates-atom10" elementType="N" x2="1836.0" y2="1215.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom11" elementType="C" x2="1694.0" y2="1216.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom12" elementType="C" x2="1766.0" y2="1175.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom13" elementType="C" x2="1622.0" y2="1174.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom14" elementType="C" x2="1766.0" y2="1092.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom15" elementType="C" x2="1622.0" y2="1092.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom16" elementType="C" x2="1550.0" y2="1050.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom17" elementType="C" x2="1836.0" y2="1299.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom18" elementType="C" x2="1909.0" y2="1340.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom19" elementType="R2" x2="1623.0" y2="1364.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom20" elementType="R1" x2="1836.0" y2="969.0"/> <atom id="Dermatan-NAcGal-4-sulfates-atom21" elementType="O" x2="1467.0" y2=…

CHEBI CHEBI:64913
structure data: InChI%3D1S%2FC20H41NO3%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20%2824%2919%2817-22%2921-18%282%2923%2Fh19-20%2C22%2C24H%2C3-17H2%2C1-2H3%2C%28H%2C21%2C23%29%2Ft19-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:16441
structure data: InChI%3D1S%2FC10H17NO6%2Fc1-10%282%2C4-11%2917-9-8%2815%297%2814%296%2813%295%283-12%2916-9%2Fh5-9%2C12-15H%2C3H2%2C1-2H3%2Ft5-%2C6-%2C7%2B%2C8-%2C9%2B%2Fm1%2Fs1

CHEBI CHEBI:43451
structure data: InChI%3D1S%2FHI%2Fh1H

CHEBI CHEBI:17409
structure data: InChI%3D1S%2FC10H20O3%2Fc11-9-7-5-3-1-2-4-6-8-10%2812%2913%2Fh11H%2C1-9H2%2C%28H%2C12%2C13%29

CHEBI CHEBI:437678
structure data: InChI%3D1S%2FC14H14O4%2Fc1-14%282%2C16%2911-7-9-10%2817-11%295-3-8-4-6-12%2815%2918-13%288%299%2Fh3-6%2C11%2C16H%2C7H2%2C1-2H3%2Ft11-%2Fm0%2Fs1

biopax-level3ChemicalStructure149919
structure data: <cml> <molecule id="Carboxylic-esters" title="a carboxylic ester" formalCharge="0" dictRef="dictCarboxylic-esters"> <atomArray> <atom id="Carboxylic-esters-atom1" elementType="R" x2="-3624.0" y2="-2681.0"/> <atom id="Carboxylic-esters-atom2" elementType="C" x2="-3041.0" y2="-2098.0"/> <atom id="Carboxylic-esters-atom3" elementType="O" x2="-2457.0" y2="-2681.0"/> <atom id="Carboxylic-esters-atom4" elementType="O" x2="-3041.0" y2="-1273.0"/> <atom id="Carboxylic-esters-atom5" elementType="R" x2="-2326.0" y2="-860.0"/> </atomArray> <bondArray> <bond id="Carboxylic-esters-bond1" atomRefs="Carboxylic-esters-atom1 Carboxylic-esters-atom2" order="1"/> <bond id="Carboxylic-esters-bond2" atomRefs="Carboxylic-esters-atom2 Carboxylic-esters-atom3" order="2"/> <bond id="Carboxylic-esters-bond3" atomRefs="Carboxylic-esters-atom2 Carboxylic-esters-atom4" order="1"/> <bond id="Carboxylic-esters-bond4" atomRefs="Carboxylic-esters-atom4 Carboxylic-esters-atom5" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(O[R])(=O)[R]</string> </molecule> </cml>

CHEBI CHEBI:61675
structure data: InChI%3D1S%2FC16H28O2%2Fc17-16%2818%2914-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15%2Fh9%2C12%2C15H%2C1-8%2C10-11%2C13-14H2%2C%28H%2C17%2C18%29%2Ft15-%2Fm0%2Fs1

biopax-level3ChemicalStructure141558
structure data: <cml> <molecule id="FORMYL-L-METHIONYL-PEPTIDE" title="formyl-L-methionyl peptide" formalCharge="0" dictRef="dictFORMYL-L-METHIONYL-PEPTIDE"> <atomArray> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom1" elementType="C" x2="0.0" y2="-2062.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom2" elementType="O" x2="2143.0" y2="0.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom3" elementType="O" x2="10002.0" y2="-1238.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom4" elementType="O" x2="7859.0" y2="-3300.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom5" elementType="O" x2="5716.0" y2="-1238.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom6" elementType="O" x2="3572.0" y2="-3300.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom7" elementType="O" x2="10717.0" y2="-2475.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom8" elementType="R" x2="9288.0" y2="-3300.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom9" elementType="R" x2="7144.0" y2="-1238.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom10" elementType="R" x2="5001.0" y2="-3300.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom11" elementType="C" x2="2143.0" y2="-825.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom12" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom13" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom14" elementType="N" x2="2858.0" y2="-1238.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom15" elementType="N" x2="8574.0" y2="-2062.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom16" elementType="N" x2="6430.0" y2="-2475.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom17" elementType="N" x2="4287.0" y2="-2062.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom18" elementType="S" x2="714.0" y2="-2475.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom19" elementType="C" x2="10002.0" y2="-2062.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom20" elementType="C" x2="7859.0" y2="-2475.0"/> <atom id="FORMYL-L-METHIONYL-PEPTIDE-atom21" elementType="C" x2="5716.0" y2="-2062.0"/> <atom id="FOR…

biopax-level3ChemicalStructure132382
structure data: <atom id="BUTHIONINE-SULFOXIMINE-atom1" elementType="C" x2="-79685.0" y2="5625.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom2" elementType="C" x2="-73539.0" y2="729.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom3" elementType="C" x2="-66395.0" y2="4854.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom4" elementType="C" x2="-59250.0" y2="729.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom5" elementType="C" x2="-46325.0" y2="10114.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom6" elementType="C" x2="-39493.0" y2="4739.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom7" elementType="C" x2="-32035.0" y2="9802.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom8" elementType="C" x2="-32035.0" y2="15239.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom9" elementType="S" x2="-53156.0" y2="5364.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom10" elementType="O" x2="-47157.0" y2="-4281.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom11" elementType="N" x2="-59156.0" y2="14696.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom12" elementType="N" x2="-23641.0" y2="3489.0" formalCharge="1"/> <atom id="BUTHIONINE-SULFOXIMINE-atom13" elementType="O" x2="-38494.0" y2="22322.0"/> <atom id="BUTHIONINE-SULFOXIMINE-atom14" elementType="O" x2="-24014.0" y2="21697.0" formalCharge="-1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond1" atomRefs="BUTHIONINE-SULFOXIMINE-atom8 BUTHIONINE-SULFOXIMINE-atom14" order="1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond2" atomRefs="BUTHIONINE-SULFOXIMINE-atom8 BUTHIONINE-SULFOXIMINE-atom13" order="2"/> <bond id="BUTHIONINE-SULFOXIMINE-bond3" atomRefs="BUTHIONINE-SULFOXIMINE-atom7 BUTHIONINE-SULFOXIMINE-atom8" order="1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond4" atomRefs="BUTHIONINE-SULFOXIMINE-atom7 BUTHIONINE-SULFOXIMINE-atom12" order="1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond5" atomRefs="BUTHIONINE-SULFOXIMINE-atom6 BUTHIONINE-SULFOXIMINE-atom7" order="1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond6" atomRefs="BUTHIONINE-SULFOXIMINE-atom5 BUTHIONINE-SULFOXIMINE-atom6" order="1"/> <bond id="BUTHIONINE-SULFOXIMINE-bond7" atomRefs="B…

CHEBI CHEBI:63619
structure data: InChI%3D1S%2FC21H27NO3%2Fc1-2-14-22-15-18%2823%2916-25-21-11-7-6-10-19%2821%2920%2824%2913-12-17-8-4-3-5-9-17%2Fh3-11%2C18%2C22-23H%2C2%2C12-16H2%2C1H3

CHEBI CHEBI:46902
structure data: InChI%3D1S%2FC45H78O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43%2846%2947-38-30-32-44%285%2937%2834-38%2926-27-39-41-29-28-40%2836%284%2924-22-23-35%282%293%2945%2841%2C6%2933-31-42%2839%2944%2Fh14-15%2C26%2C35-36%2C38-42H%2C7-13%2C16-25%2C27-34H2%2C1-6H3%2Fb15-14%2B%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C44%2B%2C45-%2Fm1%2Fs1

CHEBI CHEBI:30465
structure data: InChI%3D1S%2FH2O3Te%2Fc1-4%282%293%2Fh%28H2%2C1%2C2%2C3%29

CHEBI CHEBI:28468
structure data: InChI%3D1S%2FC24H50NO7P%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24%2827%2930-21-23%2826%2922-32-33%2828%2C29%2931-20-19-25%282%2C3%294%2Fh23%2C26H%2C5-22H2%2C1-4H3%2Fp%2B1%2Ft23-%2Fm1%2Fs1

CHEBI CHEBI:60332
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-3-2%281-14-16%2811%2C12%2913%2915-6%2810%295%289%294%283%298%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5%2B%2C6%2B%2Fm1%2Fs1

CHEBI CHEBI:59353
structure data: InChI%3D1S%2FC10H8O4%2Fc11-8-4-2-1-3-7%288%295-6-9%2812%2910%2813%2914%2Fh1-6%2C11H%2C%28H%2C13%2C14%29%2Fp-1%2Fb6-5%2B

CHEBI CHEBI:58029
structure data: InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2%2Fp%2B1

CHEBI CHEBI:52457
structure data: InChI%3D1S%2FSe%2Fi1-2

biopax-level3ChemicalStructure145353
structure data: <atom id="CPD1G-1353-atom1" elementType="C" x2="1741220.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom2" elementType="C" x2="1812660.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom3" elementType="C" x2="1884110.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom4" elementType="C" x2="1955560.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom5" elementType="C" x2="2027010.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom6" elementType="C" x2="2098450.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom7" elementType="C" x2="2169900.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom8" elementType="C" x2="2241350.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom9" elementType="C" x2="2312790.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom10" elementType="C" x2="2384240.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom11" elementType="C" x2="2455690.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom12" elementType="C" x2="2527140.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom13" elementType="C" x2="2598580.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom14" elementType="C" x2="2670030.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom15" elementType="C" x2="2741480.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom16" elementType="C" x2="2812920.0" y2="-215090.0"/> <atom id="CPD1G-1353-atom17" elementType="O" x2="2812920.0" y2="-297590.0"/> <atom id="CPD1G-1353-atom18" elementType="O" x2="2884370.0" y2="-173840.0"/> <atom id="CPD1G-1353-atom19" elementType="O" x2="3067230.0" y2="-212140.0"/> <atom id="CPD1G-1353-atom20" elementType="C" x2="2995790.0" y2="-170890.0"/> <atom id="CPD1G-1353-atom21" elementType="C" x2="2995790.0" y2="-88390.0"/> <atom id="CPD1G-1353-atom22" elementType="C" x2="3067230.0" y2="-47140.0"/> <atom id="CPD1G-1353-atom23" elementType="C" x2="3138680.0" y2="-88390.0"/> <atom id="CPD1G-1353-atom24" elementType="C" x2="3138680.0" y2="-170890.0"/> <atom id="CPD1G-1353-atom25" elementType="O" x2="3067230.0" y2="35360.0"/> <atom id="CPD1G-1353-atom26" elementType="O" x2="2937450.0" y2="-30060.0"/> <atom id="CPD…

biopax-level3ChemicalStructure125424
structure data: <atom id="Nucleosides-atom1" elementType="O" x2="0.0" y2="-1155.0"/> <atom id="Nucleosides-atom2" elementType="O" x2="2962.0" y2="0.0"/> <atom id="Nucleosides-atom3" elementType="O" x2="1168.0" y2="0.0"/> <atom id="Nucleosides-atom4" elementType="Bases" x2="3706.0" y2="-2066.0"/> <atom id="Nucleosides-atom5" elementType="C" x2="613.0" y2="-1707.0"/> <atom id="Nucleosides-atom6" elementType="O" x2="2065.0" y2="-1937.0"/> <atom id="Nucleosides-atom7" elementType="C" x2="2733.0" y2="-1452.0"/> <atom id="Nucleosides-atom8" elementType="C" x2="2478.0" y2="-668.0"/> <atom id="Nucleosides-atom9" elementType="C" x2="1652.0" y2="-668.0"/> <atom id="Nucleosides-atom10" elementType="C" x2="1398.0" y2="-1452.0"/> <bond id="Nucleosides-bond1" atomRefs="Nucleosides-atom9 Nucleosides-atom10" order="1"/> <bond id="Nucleosides-bond2" atomRefs="Nucleosides-atom8 Nucleosides-atom9" order="1"/> <bond id="Nucleosides-bond3" atomRefs="Nucleosides-atom7 Nucleosides-atom8" order="1"/> <bond id="Nucleosides-bond4" atomRefs="Nucleosides-atom6 Nucleosides-atom10" order="1"/> <bond id="Nucleosides-bond5" atomRefs="Nucleosides-atom6 Nucleosides-atom7" order="1"/> <bond id="Nucleosides-bond6" atomRefs="Nucleosides-atom10 Nucleosides-atom5" order="1"/> <bond id="Nucleosides-bond7" atomRefs="Nucleosides-atom7 Nucleosides-atom4" order="1"/> <bond id="Nucleosides-bond8" atomRefs="Nucleosides-atom9 Nucleosides-atom3" order="1"/> <bond id="Nucleosides-bond9" atomRefs="Nucleosides-atom8 Nucleosides-atom2" order="1"/> <bond id="Nucleosides-bond10" atomRefs="Nucleosides-atom1 Nucleosides-atom5" order="1"/> <formula concise=""/> C(O)C1(OC([a nucleobase])C(O)C(O)1)

CHEBI CHEBI:18132
structure data: InChI%3D1S%2FC5H14NO4P%2Fc1-6%282%2C3%294-5-10-11%287%2C8%299%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C8%2C9%29%2Fp%2B1

biopax-level3ChemicalStructure174492
structure data: <atom id="CPD-11962-atom1" elementType="C" x2="-23571.0" y2="-2652.0"/> <atom id="CPD-11962-atom2" elementType="C" x2="-30716.0" y2="1473.0"/> <atom id="CPD-11962-atom3" elementType="C" x2="-30716.0" y2="9723.0"/> <atom id="CPD-11962-atom4" elementType="C" x2="-23571.0" y2="13848.0"/> <atom id="CPD-11962-atom5" elementType="C" x2="-16427.0" y2="9723.0"/> <atom id="CPD-11962-atom6" elementType="C" x2="-16427.0" y2="1473.0"/> <atom id="CPD-11962-atom7" elementType="C" x2="-9282.0" y2="-2652.0"/> <atom id="CPD-11962-atom8" elementType="O" x2="-9282.0" y2="13848.0"/> <atom id="CPD-11962-atom9" elementType="C" x2="-2137.0" y2="9723.0"/> <atom id="CPD-11962-atom10" elementType="C" x2="-2137.0" y2="1473.0"/> <atom id="CPD-11962-atom11" elementType="C" x2="-23571.0" y2="-10902.0"/> <atom id="CPD-11962-atom12" elementType="O" x2="-37861.0" y2="-2652.0"/> <atom id="CPD-11962-atom13" elementType="C" x2="-37861.0" y2="13848.0"/> <atom id="CPD-11962-atom14" elementType="C" x2="-23571.0" y2="22098.0"/> <atom id="CPD-11962-atom15" elementType="C" x2="5007.0" y2="5598.0"/> <atom id="CPD-11962-atom16" elementType="C" x2="12152.0" y2="9723.0"/> <atom id="CPD-11962-atom17" elementType="C" x2="19297.0" y2="5598.0"/> <atom id="CPD-11962-atom18" elementType="C" x2="1988.0" y2="16868.0"/> <atom id="CPD-11962-atom19" elementType="O" x2="26441.0" y2="9723.0"/> <atom id="CPD-11962-atom20" elementType="O" x2="19297.0" y2="-2652.0"/> <bond id="CPD-11962-bond1" atomRefs="CPD-11962-atom1 CPD-11962-atom2" order="2"/> <bond id="CPD-11962-bond2" atomRefs="CPD-11962-atom2 CPD-11962-atom3" order="1"/> <bond id="CPD-11962-bond3" atomRefs="CPD-11962-atom3 CPD-11962-atom4" order="2"/> <bond id="CPD-11962-bond4" atomRefs="CPD-11962-atom4 CPD-11962-atom5" order="1"/> <bond id="CPD-11962-bond5" atomRefs="CPD-11962-atom1 CPD-11962-atom6" order="1"/> <bond id="CPD-11962-bond6" atomRefs="CPD-11962-atom7 CPD-11962-atom6" order="1"/> <bond id="CPD-11962-bond7" atomRefs="CPD-11962-atom6 CPD-11962-atom5" order="2…

biopax-level3ChemicalStructure131892
structure data: <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom1" elementType="C" x2="2244.0" y2="-5235.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom2" elementType="O" x2="-21812.0" y2="-5235.0" formalCharge="-1"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom3" elementType="O" x2="-6607.0" y2="-5235.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom4" elementType="N" x2="21749.0" y2="-5298.0" formalCharge="1"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom5" elementType="O" x2="18010.0" y2="-21812.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom6" elementType="C" x2="21749.0" y2="-10221.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom7" elementType="P" x2="-14896.0" y2="-5235.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom8" elementType="O" x2="5859.0" y2="-21812.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom9" elementType="O" x2="11966.0" y2="-4735.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom10" elementType="O" x2="-14896.0" y2="-12215.0" formalCharge="-1"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom11" elementType="O" x2="-14896.0" y2="1682.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom12" elementType="C" x2="18010.0" y2="-17637.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom13" elementType="C" x2="5859.0" y2="-17637.0"/> <atom id="5-P-BETA-D-RIBOSYL-AMINE-atom14" elementType="C" x2="2244.0" y2="-10221.0"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond1" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom14 5-P-BETA-D-RIBOSYL-AMINE-atom13" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond2" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom14 5-P-BETA-D-RIBOSYL-AMINE-atom9" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond3" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom13 5-P-BETA-D-RIBOSYL-AMINE-atom12" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond4" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom11 5-P-BETA-D-RIBOSYL-AMINE-atom7" order="2"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond5" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom10 5-P-BETA-D-RIBOSYL-AMINE-atom7" order="1"/> <bond id="5-P-BETA-D-RIBOSYL-AMINE-bond6" atomRefs="5-P-BETA-D-RIBOSYL-AMINE-atom9 5-P-BET…

biopax-level3ChemicalStructure127476
structure data: <atom id="Pi-atom1" elementType="P" x2="-1400.0" y2="-1400.0"/> <atom id="Pi-atom2" elementType="O" x2="823600.0" y2="-1400.0" formalCharge="-1"/> <atom id="Pi-atom3" elementType="O" x2="-1400.0" y2="823600.0" formalCharge="-1"/> <atom id="Pi-atom4" elementType="O" x2="-1400.0" y2="-826400.0"/> <atom id="Pi-atom5" elementType="O" x2="-826400.0" y2="-1400.0"/> <bond id="Pi-bond1" atomRefs="Pi-atom5 Pi-atom1" order="2"/> <bond id="Pi-bond2" atomRefs="Pi-atom4 Pi-atom1" order="1"/> <bond id="Pi-bond3" atomRefs="Pi-atom3 Pi-atom1" order="1"/> <bond id="Pi-bond4" atomRefs="Pi-atom2 Pi-atom1" order="1"/> <formula concise="H 1 O 4 P 1"/> 95.979 P([O-])([O-])(O)=O

CHEBI CHEBI:55328
structure data: InChI%3D1S%2FC16H32O3%2Fc17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16%2818%2919%2Fh17H%2C1-15H2%2C%28H%2C18%2C19%29

CHEBI CHEBI:64062
structure data: InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2%2Ft25-%2Fm0%2Fs1

CHEBI CHEBI:8746
structure data: InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3%2Ft12-%2Fm0%2Fs1

CHEBI CHEBI:60776
structure data: InChI%3D1S%2FC41H42N4O8%2Fc1-9-23-20%282%2929-17-34-27-13-10-26%2839%2849%2952-7%2938%2840%2850%2953-8%2941%2827%2C5%2935%2845-34%2919-30-22%284%2925%2812-15-37%2848%2951-6%2933%2844-30%2918-32-24%2811-14-36%2846%2947%2921%283%2928%2843-32%2916-31%2823%2942-29%2Fh9-10%2C13%2C16-19%2C38%2C43%2C45H%2C1%2C11-12%2C14-15H2%2C2-8H3%2C%28H%2C46%2C47%29%2Fb31-16-%2C33-18-%2C34-17-%2C35-19-%2Ft38-%2C41%2B%2Fm1%2Fs1

CHEBI CHEBI:3988
structure data: InChI%3D1S%2FC17H24O3%2Fc1-12-9-14%2811-17%282%2C3%2910-12%2920-16%2819%2915%2818%2913-7-5-4-6-8-13%2Fh4-8%2C12%2C14-15%2C18H%2C9-11H2%2C1-3H3

CHEBI CHEBI:17126
structure data: InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3

biopax-level3ChemicalStructure163933
structure data: <atom id="CPD-9896-atom1" elementType="C" x2="6.7364e+7" y2="-3.7125e+7"/> <atom id="CPD-9896-atom2" elementType="C" x2="9.5942e+7" y2="-3.7125e+7"/> <atom id="CPD-9896-atom3" elementType="C" x2="1.24521e+8" y2="-3.7125e+7"/> <atom id="CPD-9896-atom4" elementType="C" x2="1.531e+8" y2="-3.7125e+7"/> <atom id="CPD-9896-atom5" elementType="C" x2="1.8167901e+8" y2="-3.7126e+7"/> <atom id="CPD-9896-atom6" elementType="C" x2="2.10258e+8" y2="-3.7125e+7"/> <atom id="CPD-9896-atom7" elementType="O" x2="2.3169301e+8" y2="0.0"/> <atom id="CPD-9896-atom8" elementType="O" x2="2.45982e+8" y2="-1000.0" formalCharge="-1"/> <atom id="CPD-9896-atom9" elementType="O" x2="2.5312701e+8" y2="-2.8875e+7"/> <atom id="CPD-9896-atom10" elementType="O" x2="2.3883699e+8" y2="-3.7125e+7"/> <atom id="CPD-9896-atom11" elementType="C" x2="7.4508e+7" y2="-2.475e+7"/> <atom id="CPD-9896-atom12" elementType="C" x2="1.03087e+8" y2="-2.475e+7"/> <atom id="CPD-9896-atom13" elementType="C" x2="1.31666e+8" y2="-2.475e+7"/> <atom id="CPD-9896-atom14" elementType="C" x2="1.6024499e+8" y2="-2.4751e+7"/> <atom id="CPD-9896-atom15" elementType="C" x2="1.88824e+8" y2="-2.475e+7"/> <atom id="CPD-9896-atom16" elementType="C" x2="2.17402e+8" y2="-2.475e+7"/> <atom id="CPD-9896-atom17" elementType="C" x2="2.45982e+8" y2="-1.65e+7"/> <atom id="CPD-9896-atom18" elementType="C" x2="2.3169301e+8" y2="-1.65e+7"/> <atom id="CPD-9896-atom19" elementType="C" x2="8.1653e+7" y2="-2.8875e+7"/> <atom id="CPD-9896-atom20" elementType="C" x2="1.10232e+8" y2="-2.8875e+7"/> <atom id="CPD-9896-atom21" elementType="C" x2="1.3881099e+8" y2="-2.8875e+7"/> <atom id="CPD-9896-atom22" elementType="C" x2="1.6739e+8" y2="-2.8875e+7"/> <atom id="CPD-9896-atom23" elementType="C" x2="1.95968e+8" y2="-2.8876e+7"/> <atom id="CPD-9896-atom24" elementType="C" x2="2.24548e+8" y2="-2.8875e+7"/> <atom id="CPD-9896-atom25" elementType="C" x2="8.8798e+7" y2="-2.475e+7"/> <atom id="CPD-9896-atom26" elementType="C" x2="1.17376e+8" y2="-2.475e+7"/> <ato…

CHEBI CHEBI:127780
structure data: InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)

CHEBI CHEBI:17256
structure data: InChI%3D1S%2FC10H13N5O3%2Fc11-9-8-10%2813-3-12-9%2915%284-14-8%297-1-5%2817%296%282-16%2918-7%2Fh3-7%2C16-17H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1

CHEBI CHEBI:16619
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11%2C16H%2C5-6%2C8%2C10%2C12H2%2C1-4H3%2Fb14-9%2B%2C15-11%2B

CHEBI CHEBI:32637
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Fp-1%2Ft4-%2Fm1%2Fs1

CHEBI CHEBI:41774
structure data: InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%2Fb26-25-

CHEBI CHEBI:19891
structure data: InChI%3D1S%2FC9H8O5%2Fc10-6-2-1-5%283-7%286%2911%294-8%2812%299%2813%2914%2Fh1-3%2C10-11H%2C4H2%2C%28H%2C13%2C14%29

CHEBI CHEBI:38933
structure data: InChI%3D1S%2FC3H9NS%2Fc4-2-1-3-5%2Fh5H%2C1-4H2

CHEBI CHEBI:7849
structure data: InChI%3D1S%2FC30H49N3O2%2Fc1-18-11-22-15-29-30%2835%2C23-16-26%2822%2927%2812-18%2932%284%2917-23%298-7-24%2831-29%2914-21-10-19%282%2913-28-25%2821%296-5-9-33%2828%2920%283%2934%2Fh18-19%2C21-28%2C35H%2C5-17H2%2C1-4H3%2Ft18-%2C19%2B%2C21-%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28-%2C30%2B%2Fm1%2Fs1

CHEBI CHEBI:1171
structure data: InChI%3D1S%2FC3H9O4P%2Fc1-3%284%292-8%285%2C6%297%2Fh3-4H%2C2H2%2C1H3%2C%28H2%2C5%2C6%2C7%29

CHEBI CHEBI:18153
structure data: InChI%3D1S%2FC2H4%2Fc1-2%2Fh1-2H2

CHEBI CHEBI:62423
structure data: InChI%3D1S%2FC8H8O3%2Fc9-7-4-2-1-3-6%287%295-8%2810%2911%2Fh1-4%2C9H%2C5H2%2C%28H%2C10%2C11%29%2Fp-1

CHEBI CHEBI:16113
structure data: InChI%3D1S%2FC27H46O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh9%2C18-19%2C21-25%2C28H%2C6-8%2C10-17H2%2C1-5H3%2Ft19-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

biopax-level3ChemicalStructure161863
structure data: <atom id="OXIDIZED-GLUTATHIONE-atom1" elementType="O" x2="-7365.0" y2="5134.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom2" elementType="C" x2="-7365.0" y2="-26784.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom3" elementType="O" x2="20646.0" y2="-10156.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom4" elementType="N" x2="20869.0" y2="-26784.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom5" elementType="C" x2="27230.0" y2="25444.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom6" elementType="C" x2="-20534.0" y2="12611.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom7" elementType="C" x2="27230.0" y2="-13615.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom8" elementType="C" x2="27230.0" y2="17186.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom9" elementType="O" x2="14173.0" y2="-15178.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom10" elementType="O" x2="14173.0" y2="24663.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom11" elementType="C" x2="6584.0" y2="6026.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom12" elementType="C" x2="-27565.0" y2="25444.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom13" elementType="N" x2="20869.0" y2="12611.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom14" elementType="C" x2="-14508.0" y2="17186.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom15" elementType="O" x2="-21092.0" y2="29016.0" formalCharge="-1"/> <atom id="OXIDIZED-GLUTATHIONE-atom16" elementType="N" x2="-446.0" y2="-22655.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom17" elementType="O" x2="-7365.0" y2="-34261.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom18" elementType="N" x2="-33480.0" y2="12499.0" formalCharge="1"/> <atom id="OXIDIZED-GLUTATHIONE-atom19" elementType="C" x2="-20534.0" y2="-26784.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom20" elementType="C" x2="-14508.0" y2="-22655.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom21" elementType="C" x2="-27565.0" y2="17186.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom22" elementType="O" x2="20534.0" y2="28792.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom23" elementType="C" x2="27230.0" y2="-22655.0"/> <atom id="OXIDIZED-GLUTATHIONE-atom24" elementType=…

CHEBI CHEBI:16836
structure data: InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H

CHEBI CHEBI:30566
structure data: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1

biopax-level3ChemicalStructure164786
structure data: <atom id="CPD-8629-atom1" elementType="C" x2="-49957.0" y2="-375.0"/> <atom id="CPD-8629-atom2" elementType="C" x2="-42813.0" y2="12000.0"/> <atom id="CPD-8629-atom3" elementType="C" x2="-35668.0" y2="24375.0"/> <atom id="CPD-8629-atom4" elementType="C" x2="-35668.0" y2="7875.0"/> <atom id="CPD-8629-atom5" elementType="C" x2="-35668.0" y2="-375.0"/> <atom id="CPD-8629-atom6" elementType="C" x2="-22973.0" y2="3750.0"/> <atom id="CPD-8629-atom7" elementType="C" x2="-25272.0" y2="-10770.0"/> <atom id="CPD-8629-atom8" elementType="C" x2="-25272.0" y2="-19020.0"/> <atom id="CPD-8629-atom9" elementType="C" x2="-39075.0" y2="-15322.0"/> <atom id="CPD-8629-atom10" elementType="C" x2="-17426.0" y2="-21570.0"/> <atom id="CPD-8629-atom11" elementType="C" x2="-4608.0" y2="-17030.0"/> <atom id="CPD-8629-atom12" elementType="C" x2="-12577.0" y2="-14895.0"/> <atom id="CPD-8629-atom13" elementType="O" x2="1226.0" y2="-11197.0"/> <atom id="CPD-8629-atom14" elementType="C" x2="16591.0" y2="14273.0"/> <atom id="CPD-8629-atom15" elementType="C" x2="14456.0" y2="22242.0"/> <atom id="CPD-8629-atom16" elementType="C" x2="19202.0" y2="28990.0"/> <atom id="CPD-8629-atom17" elementType="C" x2="14250.0" y2="35589.0"/> <atom id="CPD-8629-atom18" elementType="C" x2="6444.0" y2="32919.0"/> <atom id="CPD-8629-atom19" elementType="C" x2="9627.0" y2="47195.0"/> <atom id="CPD-8629-atom20" elementType="C" x2="-3333.0" y2="43996.0"/> <atom id="CPD-8629-atom21" elementType="C" x2="-2738.0" y2="52224.0"/> <atom id="CPD-8629-atom22" elementType="C" x2="-17585.0" y2="45026.0"/> <atom id="CPD-8629-atom23" elementType="C" x2="-9567.0" y2="56854.0"/> <atom id="CPD-8629-atom24" elementType="C" x2="8380.0" y2="61843.0"/> <atom id="CPD-8629-atom25" elementType="O" x2="-8972.0" y2="65083.0"/> <atom id="CPD-8629-atom26" elementType="O" x2="18375.0" y2="42734.0"/> <atom id="CPD-8629-atom27" elementType="O" x2="6572.0" y2="24670.0"/> <atom id="CPD-8629-atom28" elementType="N" x2="-25008.0" y2="41427.0"/> <atom id="…

CHEBI CHEBI:33190
structure data: InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)/p-1

CHEBI CHEBI:37318
structure data: InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2H,1,3H2,(H,7,8)

CHEBI CHEBI:59065
structure data: InChI%3D1S%2FC9H18O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh7-8%2C10H%2C4-6H2%2C1-3H3

CHEBI CHEBI:18057
structure data: InChI%3D1S%2FC19H20N2O%2Fc1-2-11-9-21-17-8-14-12-5-3-4-6-16%2812%2920-19%2814%2918%2821%297-13%2811%2915%2817%2910-22%2Fh2-6%2C10%2C13%2C15%2C17-18%2C20H%2C7-9H2%2C1H3%2Fb11-2-%2Ft13-%2C15%3F%2C17-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:16425
structure data: InChI%3D1S%2FC19H20N2O%2Fc1-2-11-9-21-17-8-14-12-5-3-4-6-16%2812%2920-19%2814%2918%2821%297-13%2811%2915%2817%2910-22%2Fh2-6%2C10%2C13%2C15%2C17-18%2C20H%2C7-9H2%2C1H3%2Fb11-2-%2Ft13-%2C15%3F%2C17-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:35904
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29%2Fp-1

biopax-level3ChemicalStructure125507
structure data: <atom id="GLT-atom1" elementType="C" x2="1537.0" y2="1031.0"/> <atom id="GLT-atom2" elementType="C" x2="1467.0" y2="987.0"/> <atom id="GLT-atom3" elementType="C" x2="1608.0" y2="992.0"/> <atom id="GLT-atom4" elementType="N" x2="1535.0" y2="1114.0" formalCharge="1"/> <atom id="GLT-atom5" elementType="C" x2="1393.0" y2="1026.0"/> <atom id="GLT-atom6" elementType="O" x2="1678.0" y2="1039.0" formalCharge="-1"/> <atom id="GLT-atom7" elementType="O" x2="1607.0" y2="910.0"/> <atom id="GLT-atom8" elementType="C" x2="1323.0" y2="983.0"/> <atom id="GLT-atom9" elementType="O" x2="1251.0" y2="1022.0" formalCharge="-1"/> <atom id="GLT-atom10" elementType="O" x2="1322.0" y2="900.0"/> <bond id="GLT-bond1" atomRefs="GLT-atom1 GLT-atom2" order="1"/> <bond id="GLT-bond2" atomRefs="GLT-atom1 GLT-atom3" order="1"/> <bond id="GLT-bond3" atomRefs="GLT-atom1 GLT-atom4" order="1"/> <bond id="GLT-bond4" atomRefs="GLT-atom2 GLT-atom5" order="1"/> <bond id="GLT-bond5" atomRefs="GLT-atom3 GLT-atom6" order="1"/> <bond id="GLT-bond6" atomRefs="GLT-atom3 GLT-atom7" order="2"/> <bond id="GLT-bond7" atomRefs="GLT-atom5 GLT-atom8" order="1"/> <bond id="GLT-bond8" atomRefs="GLT-atom8 GLT-atom9" order="1"/> <bond id="GLT-bond9" atomRefs="GLT-atom8 GLT-atom10" order="2"/> <formula concise="H 8 O 4 N 1 C 5"/> 146.122 C(=O)([O-])C([N+])CCC(=O)[O-]

CHEBI CHEBI:25038
structure data: InChI%3D1S%2FC10H16O2%2Fc1-4-10%283%296-5-9%2812-10%298%282%297-11%2Fh4%2C7-9H%2C1%2C5-6H2%2C2-3H3

CHEBI CHEBI:2700
structure data: InChI%3D1S%2FC22H37NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22%2825%2923-20-21-24%2Fh6-7%2C9-10%2C12-13%2C15-16%2C24H%2C2-5%2C8%2C11%2C14%2C17-21H2%2C1H3%2C%28H%2C23%2C25%29%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-

CHEBI CHEBI:64239
structure data: InChI%3D1S%2FC10H14O2%2Fc1-9%286-7-11%294-3-5-10%282%298-12%2Fh5-8H%2C3-4H2%2C1-2H3%2Fb9-6%2B%2C10-5%2B

CHEBI CHEBI:60384
structure data: InChI%3D1S%2FC44H89NO6%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41%2848%2943%2850%2944%2851%2945-39%2838-46%2942%2849%2940%2847%2936-34-32-30-28-26-16-14-12-10-8-6-4-2%2Fh39-43%2C46-50H%2C3-38H2%2C1-2H3%2C%28H%2C45%2C51%29%2Ft39-%2C40%2B%2C41%2B%2C42-%2C43-%2Fm0%2Fs1

CHEBI CHEBI:16193
structure data: InChI%3D1S%2FC7H6O3%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:32701
structure data: InChI%3D1S%2FC12H11NO4S%2Fc14-18%2815%2C16%2917-13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9%2C13H%2C%28H%2C14%2C15%2C16%29

CHEBI CHEBI:28941
structure data: InChI%3D1S%2FC22H44O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh2-21H2%2C1H3%2C%28H%2C23%2C24%29

biopax-level3ChemicalStructure152005
structure data: <atom id="CPD-4-atom1" elementType="C" x2="-97300.0" y2="-630.0"/> <atom id="CPD-4-atom2" elementType="C" x2="-97300.0" y2="81880.0"/> <atom id="CPD-4-atom3" elementType="C" x2="45590.0" y2="-630.0"/> <atom id="CPD-4-atom4" elementType="C" x2="45590.0" y2="81880.0"/> <atom id="CPD-4-atom5" elementType="C" x2="-240180.0" y2="81880.0"/> <atom id="CPD-4-atom6" elementType="C" x2="188460.0" y2="-630.0"/> <atom id="CPD-4-atom7" elementType="C" x2="188460.0" y2="81880.0"/> <atom id="CPD-4-atom8" elementType="C" x2="259910.0" y2="123130.0"/> <atom id="CPD-4-atom9" elementType="N" x2="-240180.0" y2="-630.0"/> <atom id="CPD-4-atom10" elementType="N" x2="-168730.0" y2="123130.0"/> <atom id="CPD-4-atom11" elementType="C" x2="-168730.0" y2="-41880.0"/> <atom id="CPD-4-atom12" elementType="O" x2="-168730.0" y2="-124380.0"/> <atom id="CPD-4-atom13" elementType="N" x2="-311620.0" y2="123130.0"/> <atom id="CPD-4-atom14" elementType="N" x2="-25860.0" y2="-41880.0"/> <atom id="CPD-4-atom15" elementType="N" x2="-25860.0" y2="123130.0"/> <atom id="CPD-4-atom16" elementType="O" x2="117040.0" y2="123130.0"/> <atom id="CPD-4-atom17" elementType="C" x2="117040.0" y2="-41880.0"/> <atom id="CPD-4-atom18" elementType="S" x2="117040.0" y2="-124380.0"/> <atom id="CPD-4-atom19" elementType="S" x2="259910.0" y2="-41880.0" formalCharge="-1"/> <atom id="CPD-4-atom20" elementType="O" x2="331360.0" y2="81880.0"/> <atom id="CPD-4-atom21" elementType="P" x2="402800.0" y2="123130.0"/> <atom id="CPD-4-atom22" elementType="O" x2="444050.0" y2="51680.0" formalCharge="-1"/> <atom id="CPD-4-atom23" elementType="O" x2="474250.0" y2="164370.0"/> <atom id="CPD-4-atom24" elementType="O" x2="361550.0" y2="194550.0" formalCharge="-1"/> <bond id="CPD-4-bond1" atomRefs="CPD-4-atom11 CPD-4-atom9" order="1"/> <bond id="CPD-4-bond2" atomRefs="CPD-4-atom1 CPD-4-atom11" order="1"/> <bond id="CPD-4-bond3" atomRefs="CPD-4-atom9 CPD-4-atom5" order="1"/> <bond id="CPD-4-bond4" atomRefs="CPD-4-atom5 CPD-4-atom10" order="2"/> …

biopax-level3ChemicalStructure136354
structure data: <cml> <molecule id="CPD-39" title="peptidylamidoglycolate" formalCharge="0" dictRef="dictCPD-39"> <atomArray> <atom id="CPD-39-atom1" elementType="H" x2="33596.0" y2="-1678.0"/> <atom id="CPD-39-atom2" elementType="H" x2="114553.0" y2="0.0"/> <atom id="CPD-39-atom3" elementType="H" x2="73569.0" y2="-35608.0"/> <atom id="CPD-39-atom4" elementType="O" x2="144117.0" y2="0.0"/> <atom id="CPD-39-atom5" elementType="O" x2="21835.0" y2="-34264.0"/> <atom id="CPD-39-atom6" elementType="O" x2="61817.0" y2="-2012.0"/> <atom id="CPD-39-atom7" elementType="O" x2="97090.0" y2="-35608.0"/> <atom id="CPD-39-atom8" elementType="O" x2="0.0" y2="-20492.0"/> <atom id="CPD-39-atom9" elementType="O" x2="151512.0" y2="-20492.0"/> <atom id="CPD-39-atom10" elementType="R" x2="126313.0" y2="-35608.0"/> <atom id="CPD-39-atom11" elementType="R" x2="51400.0" y2="-32920.0"/> <atom id="CPD-39-atom12" elementType="R" x2="85330.0" y2="-2012.0"/> <atom id="CPD-39-atom13" elementType="C" x2="7729.0" y2="-14782.0"/> <atom id="CPD-39-atom14" elementType="C" x2="138742.0" y2="-15450.0"/> <atom id="CPD-39-atom15" elementType="C" x2="21835.0" y2="-20492.0"/> <atom id="CPD-39-atom16" elementType="C" x2="61817.0" y2="-15450.0"/> <atom id="CPD-39-atom17" elementType="C" x2="97090.0" y2="-20492.0"/> <atom id="CPD-39-atom18" elementType="C" x2="126313.0" y2="-20492.0"/> <atom id="CPD-39-atom19" elementType="C" x2="50390.0" y2="-20492.0"/> <atom id="CPD-39-atom20" elementType="C" x2="85330.0" y2="-15450.0"/> <atom id="CPD-39-atom21" elementType="N" x2="33596.0" y2="-14782.0"/> <atom id="CPD-39-atom22" elementType="N" x2="114553.0" y2="-15450.0"/> <atom id="CPD-39-atom23" elementType="N" x2="73569.0" y2="-20492.0"/> </atomArray> <bondArray> <bond id="CPD-39-bond1" atomRefs="CPD-39-atom20 CPD-39-atom23" order="1"/> <bond id="CPD-39-bond2" atomRefs="CPD-39-atom19 CPD-39-atom21" order="1"/> <bond id="CPD-39-bond3" atomRefs="CPD-39-atom18 CPD-39-atom22" order="1"/> <bond id="CPD-39-bond4" atomRefs="CPD-39-atom17 CP…

CHEBI CHEBI:24012
structure data: InChI%3D1S%2FC15H24O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11-12H%2C5-6%2C8%2C10H2%2C1-4H3

CHEBI CHEBI:16897
structure data: InChI%3D1S%2FC4H9O7P%2Fc5-1-3%286%294%287%292-11-12%288%2C9%2910%2Fh1%2C3-4%2C6-7H%2C2H2%2C%28H2%2C8%2C9%2C10%29%2Fp-2%2Ft3-%2C4%2B%2Fm0%2Fs1

CHEBI CHEBI:48696
structure data: InChI%3D1S%2FC17H28O%2Fc1-12-6-11-15%2816%2812%2C2%293%2913-7-9-14%2810-8-13%2917%284%2C5%2918%2Fh6-7%2C14-15%2C18H%2C8-11H2%2C1-5H3

CHEBI CHEBI:27939
structure data: InChI%3D1S%2FC18H32O2%2Fc19-18%2820%2916-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17%2Fh11%2C14%2C17H%2C1-10%2C12-13%2C15-16H2%2C%28H%2C19%2C20%29

CHEBI CHEBI:57634
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-2-6%2810%295%289%294%288%293%2815-6%291-14-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft3-%2C4-%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:17600
structure data: InChI%3D1S%2FC16H32O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2Fh16H%2C2-15H2%2C1H3

biopax-level3ChemicalStructure170662
structure data: <atom id="2-HYDROXYPHYTANOYL-COA-atom1" elementType="C" x2="2.09392e+7" y2="-2112500.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom2" elementType="C" x2="2.16536e+7" y2="-875100.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom3" elementType="C" x2="1.80813e+7" y2="-2112500.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom4" elementType="C" x2="1.52235e+7" y2="-2112500.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom5" elementType="C" x2="1.23656e+7" y2="-2112500.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom6" elementType="C" x2="3101500.0" y2="-1845400.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom7" elementType="C" x2="3128400.0" y2="-222400.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom8" elementType="N" x2="3574400.0" y2="-8203800.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom9" elementType="O" x2="7405900.0" y2="-168300.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom10" elementType="O" x2="4548000.0" y2="-167800.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom11" elementType="O" x2="1.0945e+7" y2="-2211800.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom12" elementType="O" x2="3001600.0" y2="-2508600.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom13" elementType="O" x2="0.0" y2="-4419600.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom14" elementType="O" x2="4700.0" y2="-991300.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom15" elementType="O" x2="1.16616e+7" y2="0.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom16" elementType="O" x2="3833200.0" y2="-2230200.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom17" elementType="O" x2="5636100.0" y2="-3256900.0"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom18" elementType="O" x2="2201400.0" y2="-3318000.0" formalCharge="-1"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom19" elementType="O" x2="3071700.0" y2="-4122700.0" formalCharge="-1"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom20" elementType="O" x2="835400.0" y2="-5239500.0" formalCharge="-1"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom21" elementType="O" x2="819400.0" y2="-900.0" formalCharge="-1"/> <atom id="2-HYDROXYPHYTANOYL-COA-atom22" elementType="C" x2="2862200…

CHEBI CHEBI:62622
structure data: InChI%3D1S%2FC10H9NO3%2Fc12-7-1-2-9-8%284-7%296%285-11-9%293-10%2813%2914%2Fh1-2%2C4-5%2C11-12H%2C3H2%2C%28H%2C13%2C14%29%2Fp-1

biopax-level3ChemicalStructure169115
structure data: <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom1" elementType="C" x2="7705.0" y2="-6624.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom2" elementType="C" x2="8002.0" y2="-5226.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom3" elementType="C" x2="4556.0" y2="-4223.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom4" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom5" elementType="C" x2="4287.0" y2="-3712.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom6" elementType="O" x2="5029.0" y2="-5325.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom7" elementType="O" x2="0.0" y2="-412.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom8" elementType="O" x2="6097.0" y2="-3631.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom9" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom10" elementType="C" x2="3572.0" y2="-825.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom11" elementType="C" x2="6643.0" y2="-5668.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom12" elementType="C" x2="6388.0" y2="-4883.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom13" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom14" elementType="C" x2="2858.0" y2="-2888.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom15" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom16" elementType="C" x2="3572.0" y2="-3300.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom17" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom18" elementType="C" x2="5071.0" y2="-1807.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom19" elementType="C" x2="2143.0" y2="-825.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom20" elementType="C" x2="7450.0" y2="-5839.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom21" elementType="C" x2="5556.0" y2="-2475.0"/> <atom id="20A-20B-DIHYDROXY-CHOLESTEROL-atom22" elementType="C" x2="5581.0" y2="-4712.0"/> <atom id="20A-20…

CHEBI CHEBI:16814
structure data: InChI%3D1S%2FC19H28O5S%2Fc1-18-9-7-13%2824-25%2821%2C22%2923%2911-12%2818%293-4-14-15-5-6-17%2820%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16H%2C4-11H2%2C1-2H3%2C%28H%2C21%2C22%2C23%29%2Ft13-%2C14-%2C15-%2C16-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure146850
structure data: <atom id="XANTHOSINE-atom1" elementType="O" x2="-29412.0" y2="-10368.0"/> <atom id="XANTHOSINE-atom2" elementType="C" x2="-12803.0" y2="20524.0"/> <atom id="XANTHOSINE-atom3" elementType="C" x2="-5818.0" y2="16926.0"/> <atom id="XANTHOSINE-atom4" elementType="O" x2="-9415.0" y2="-9415.0"/> <atom id="XANTHOSINE-atom5" elementType="C" x2="-20629.0" y2="-10368.0"/> <atom id="XANTHOSINE-atom6" elementType="O" x2="-26979.0" y2="4021.0"/> <atom id="XANTHOSINE-atom7" elementType="O" x2="-16400.0" y2="-29412.0"/> <atom id="XANTHOSINE-atom8" elementType="C" x2="1694.0" y2="-14282.0"/> <atom id="XANTHOSINE-atom9" elementType="N" x2="1482.0" y2="20103.0"/> <atom id="XANTHOSINE-atom10" elementType="C" x2="-2750.0" y2="-24121.0"/> <atom id="XANTHOSINE-atom11" elementType="C" x2="-5818.0" y2="8676.0"/> <atom id="XANTHOSINE-atom12" elementType="C" x2="-20629.0" y2="-15553.0"/> <atom id="XANTHOSINE-atom13" elementType="N" x2="1694.0" y2="4656.0"/> <atom id="XANTHOSINE-atom14" elementType="C" x2="7406.0" y2="12485.0"/> <atom id="XANTHOSINE-atom15" elementType="N" x2="-19785.0" y2="16400.0"/> <atom id="XANTHOSINE-atom16" elementType="C" x2="-19785.0" y2="8888.0"/> <atom id="XANTHOSINE-atom17" elementType="N" x2="-12485.0" y2="4021.0"/> <atom id="XANTHOSINE-atom18" elementType="O" x2="-2750.0" y2="-29412.0"/> <atom id="XANTHOSINE-atom19" elementType="O" x2="-12803.0" y2="29306.0"/> <atom id="XANTHOSINE-atom20" elementType="C" x2="-16400.0" y2="-24121.0"/> <bond id="XANTHOSINE-bond1" atomRefs="XANTHOSINE-atom20 XANTHOSINE-atom10" order="1"/> <bond id="XANTHOSINE-bond2" atomRefs="XANTHOSINE-atom19 XANTHOSINE-atom2" order="2"/> <bond id="XANTHOSINE-bond3" atomRefs="XANTHOSINE-atom18 XANTHOSINE-atom10" order="1"/> <bond id="XANTHOSINE-bond4" atomRefs="XANTHOSINE-atom17 XANTHOSINE-atom16" order="1"/> <bond id="XANTHOSINE-bond5" atomRefs="XANTHOSINE-atom16 XANTHOSINE-atom15" order="1"/> <bond id="XANTHOSINE-bond6" atomRefs="XANTHOSINE-atom15 XANTHOSINE-atom2" order="1"/> <bond id="XANTHOSIN…

CHEBI CHEBI:63324
structure data: InChI%3D1S%2FC18H32O4%2Fc1-2-3-4-5-8-11-14-17%2822-21%2915-12-9-6-7-10-13-16-18%2819%2920%2Fh8%2C11-12%2C15%2C17%2C21H%2C2-7%2C9-10%2C13-14%2C16H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb11-8-%2C15-12%2B%2Ft17-%2Fm1%2Fs1

biopax-level3ChemicalStructure136723
structure data: <atom id="HYDROXYMETHYLBILANE-atom1" elementType="C" x2="170470.0" y2="-2390.0"/> <atom id="HYDROXYMETHYLBILANE-atom2" elementType="C" x2="83990.0" y2="99290.0"/> <atom id="HYDROXYMETHYLBILANE-atom3" elementType="C" x2="160280.0" y2="130700.0"/> <atom id="HYDROXYMETHYLBILANE-atom4" elementType="C" x2="213720.0" y2="67860.0"/> <atom id="HYDROXYMETHYLBILANE-atom5" elementType="C" x2="-190300.0" y2="79770.0"/> <atom id="HYDROXYMETHYLBILANE-atom6" elementType="C" x2="-133240.0" y2="139350.0"/> <atom id="HYDROXYMETHYLBILANE-atom7" elementType="C" x2="-58940.0" y2="103500.0"/> <atom id="HYDROXYMETHYLBILANE-atom8" elementType="C" x2="-151260.0" y2="7090.0"/> <atom id="HYDROXYMETHYLBILANE-atom9" elementType="C" x2="13740.0" y2="142540.0"/> <atom id="HYDROXYMETHYLBILANE-atom10" elementType="C" x2="-154620.0" y2="-149150.0"/> <atom id="HYDROXYMETHYLBILANE-atom11" elementType="C" x2="-66550.0" y2="-249450.0"/> <atom id="HYDROXYMETHYLBILANE-atom12" elementType="C" x2="-142330.0" y2="-282060.0"/> <atom id="HYDROXYMETHYLBILANE-atom13" elementType="C" x2="-196760.0" y2="-220080.0"/> <atom id="HYDROXYMETHYLBILANE-atom14" elementType="C" x2="207400.0" y2="-225590.0"/> <atom id="HYDROXYMETHYLBILANE-atom15" elementType="C" x2="151290.0" y2="-286070.0"/> <atom id="HYDROXYMETHYLBILANE-atom16" elementType="C" x2="76430.0" y2="-251400.0"/> <atom id="HYDROXYMETHYLBILANE-atom17" elementType="C" x2="167210.0" y2="-153540.0"/> <atom id="HYDROXYMETHYLBILANE-atom18" elementType="C" x2="4380.0" y2="-291590.0"/> <atom id="HYDROXYMETHYLBILANE-atom19" elementType="C" x2="201880.0" y2="-78680.0"/> <atom id="HYDROXYMETHYLBILANE-atom20" elementType="C" x2="289310.0" y2="-235430.0"/> <atom id="HYDROXYMETHYLBILANE-atom21" elementType="C" x2="-160480.0" y2="-362540.0"/> <atom id="HYDROXYMETHYLBILANE-atom22" elementType="C" x2="-147910.0" y2="220540.0"/> <atom id="HYDROXYMETHYLBILANE-atom23" elementType="C" x2="-225550.0" y2="248430.0"/> <atom id="HYDROXYMETHYLBILANE-atom24" elementType="C" x2="-240220.0"…

biopax-level3ChemicalStructure127576
structure data: <atom id="NOREPINEPHRINE-atom1" elementType="C" x2="142990.0" y2="-91770.0"/> <atom id="NOREPINEPHRINE-atom2" elementType="C" x2="-710.0" y2="-174290.0"/> <atom id="NOREPINEPHRINE-atom3" elementType="O" x2="-214840.0" y2="-214840.0"/> <atom id="NOREPINEPHRINE-atom4" elementType="C" x2="-71850.0" y2="-214840.0"/> <atom id="NOREPINEPHRINE-atom5" elementType="O" x2="70430.0" y2="31300.0"/> <atom id="NOREPINEPHRINE-atom6" elementType="N" x2="214130.0" y2="-50510.0" formalCharge="1"/> <atom id="NOREPINEPHRINE-atom7" elementType="C" x2="-71850.0" y2="-50510.0"/> <atom id="NOREPINEPHRINE-atom8" elementType="C" x2="-143700.0" y2="-174290.0"/> <atom id="NOREPINEPHRINE-atom9" elementType="C" x2="-143700.0" y2="-91770.0"/> <atom id="NOREPINEPHRINE-atom10" elementType="C" x2="-710.0" y2="-91770.0"/> <atom id="NOREPINEPHRINE-atom11" elementType="C" x2="70430.0" y2="-50510.0"/> <atom id="NOREPINEPHRINE-atom12" elementType="O" x2="-214840.0" y2="-50510.0"/> <bond id="NOREPINEPHRINE-bond1" atomRefs="NOREPINEPHRINE-atom12 NOREPINEPHRINE-atom9" order="1"/> <bond id="NOREPINEPHRINE-bond2" atomRefs="NOREPINEPHRINE-atom11 NOREPINEPHRINE-atom10" order="1"/> <bond id="NOREPINEPHRINE-bond3" atomRefs="NOREPINEPHRINE-atom10 NOREPINEPHRINE-atom7" order="1"/> <bond id="NOREPINEPHRINE-bond4" atomRefs="NOREPINEPHRINE-atom9 NOREPINEPHRINE-atom8" order="1"/> <bond id="NOREPINEPHRINE-bond5" atomRefs="NOREPINEPHRINE-atom7 NOREPINEPHRINE-atom9" order="2"/> <bond id="NOREPINEPHRINE-bond6" atomRefs="NOREPINEPHRINE-atom6 NOREPINEPHRINE-atom1" order="1"/> <bond id="NOREPINEPHRINE-bond7" atomRefs="NOREPINEPHRINE-atom5 NOREPINEPHRINE-atom11" order="1"/> <bond id="NOREPINEPHRINE-bond8" atomRefs="NOREPINEPHRINE-atom8 NOREPINEPHRINE-atom4" order="2"/> <bond id="NOREPINEPHRINE-bond9" atomRefs="NOREPINEPHRINE-atom3 NOREPINEPHRINE-atom8" order="1"/> <bond id="NOREPINEPHRINE-bond10" atomRefs="NOREPINEPHRINE-atom2 NOREPINEPHRINE-atom10" order="2"/> <bond id="NOREPINEPHRINE-bond11" atomRefs="NOREPINEPHRINE-atom4 NO…

biopax-level3ChemicalStructure144277
structure data: <cml> <molecule id="Chondroitin-GalNAc-6S" title="[chondroitin]-6-O-sulfo-N-acetylgalactosamine" formalCharge="-1" dictRef="dictChondroitin-GalNAc-6S"> <atomArray> <atom id="Chondroitin-GalNAc-6S-atom1" elementType="S" x2="1372.0" y2="1048.0"/> <atom id="Chondroitin-GalNAc-6S-atom2" elementType="O" x2="1684.0" y2="1315.0"/> <atom id="Chondroitin-GalNAc-6S-atom3" elementType="O" x2="1683.0" y2="1044.0"/> <atom id="Chondroitin-GalNAc-6S-atom4" elementType="O" x2="1825.0" y2="1045.0"/> <atom id="Chondroitin-GalNAc-6S-atom5" elementType="O" x2="1541.0" y2="1208.0"/> <atom id="Chondroitin-GalNAc-6S-atom6" elementType="O" x2="1455.0" y2="1048.0"/> <atom id="Chondroitin-GalNAc-6S-atom7" elementType="O" x2="1752.0" y2="1333.0"/> <atom id="Chondroitin-GalNAc-6S-atom8" elementType="O" x2="1372.0" y2="1130.0"/> <atom id="Chondroitin-GalNAc-6S-atom9" elementType="O" x2="1372.0" y2="965.0"/> <atom id="Chondroitin-GalNAc-6S-atom10" elementType="O" x2="1290.0" y2="1048.0" formalCharge="-1"/> <atom id="Chondroitin-GalNAc-6S-atom11" elementType="N" x2="1825.0" y2="1208.0"/> <atom id="Chondroitin-GalNAc-6S-atom12" elementType="C" x2="1684.0" y2="1209.0"/> <atom id="Chondroitin-GalNAc-6S-atom13" elementType="C" x2="1755.0" y2="1168.0"/> <atom id="Chondroitin-GalNAc-6S-atom14" elementType="C" x2="1612.0" y2="1167.0"/> <atom id="Chondroitin-GalNAc-6S-atom15" elementType="C" x2="1755.0" y2="1085.0"/> <atom id="Chondroitin-GalNAc-6S-atom16" elementType="C" x2="1612.0" y2="1085.0"/> <atom id="Chondroitin-GalNAc-6S-atom17" elementType="C" x2="1541.0" y2="1044.0"/> <atom id="Chondroitin-GalNAc-6S-atom18" elementType="C" x2="1825.0" y2="1291.0"/> <atom id="Chondroitin-GalNAc-6S-atom19" elementType="C" x2="1896.0" y2="1332.0"/> <atom id="Chondroitin-GalNAc-6S-atom20" elementType="R2" x2="1613.0" y2="1356.0"/> <atom id="Chondroitin-GalNAc-6S-atom21" elementType="R1" x2="1825.0" y2="963.0"/> </atomArray> <bondArray> <bond id="Chondroitin-GalNAc-6S-bond1" atomRefs="Chondroitin-GalNAc-6S-atom1 Cho…

CHEBI CHEBI:30753
structure data: InChI%3D1S%2FC7H7NO2%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29

CHEBI CHEBI:8107
structure data: InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29

biopax-level3ChemicalStructure169549
structure data: <atom id="CPD-10577-atom1" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-10577-atom2" elementType="C" x2="3556.0" y2="-6740.0"/> <atom id="CPD-10577-atom3" elementType="C" x2="5998.0" y2="-3760.0"/> <atom id="CPD-10577-atom4" elementType="C" x2="7112.0" y2="-4506.0"/> <atom id="CPD-10577-atom5" elementType="C" x2="2858.0" y2="-5775.0"/> <atom id="CPD-10577-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-10577-atom7" elementType="O" x2="2858.0" y2="0.0"/> <atom id="CPD-10577-atom8" elementType="O" x2="6734.0" y2="-3840.0"/> <atom id="CPD-10577-atom9" elementType="C" x2="1429.0" y2="-4950.0"/> <atom id="CPD-10577-atom10" elementType="C" x2="5045.0" y2="-5240.0"/> <atom id="CPD-10577-atom11" elementType="C" x2="1429.0" y2="-4125.0"/> <atom id="CPD-10577-atom12" elementType="C" x2="4722.0" y2="-6000.0"/> <atom id="CPD-10577-atom13" elementType="C" x2="3642.0" y2="-3870.0"/> <atom id="CPD-10577-atom14" elementType="C" x2="4127.0" y2="-4538.0"/> <atom id="CPD-10577-atom15" elementType="C" x2="5870.0" y2="-5244.0"/> <atom id="CPD-10577-atom16" elementType="C" x2="2143.0" y2="-5362.0"/> <atom id="CPD-10577-atom17" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-10577-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-10577-atom19" elementType="C" x2="1429.0" y2="-2475.0"/> <atom id="CPD-10577-atom20" elementType="C" x2="2143.0" y2="-2888.0"/> <atom id="CPD-10577-atom21" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-10577-atom22" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-10577-atom23" elementType="C" x2="2143.0" y2="-3712.0"/> <atom id="CPD-10577-atom24" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-10577-atom25" elementType="C" x2="3898.0" y2="-5990.0"/> <atom id="CPD-10577-atom26" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-10577-atom27" elementType="C" x2="2858.0" y2="-4125.0"/> <atom id="CPD-10577-atom28" elementType="C" x2="3642.0" y2="-5205.0"/> <atom id="CPD-10577-atom29" elementType=…

biopax-level3ChemicalStructure139511
structure data: <atom id="CPD-11938-atom1" elementType="O" x2="6594.0" y2="-3285.0"/> <atom id="CPD-11938-atom2" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="CPD-11938-atom3" elementType="O" x2="4365.0" y2="-6600.0"/> <atom id="CPD-11938-atom4" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-11938-atom5" elementType="O" x2="1490.0" y2="-4918.0"/> <atom id="CPD-11938-atom6" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-11938-atom7" elementType="O" x2="6598.0" y2="-4935.0" formalCharge="-1"/> <atom id="CPD-11938-atom8" elementType="O" x2="7444.0" y2="-4120.0" formalCharge="-1"/> <atom id="CPD-11938-atom9" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="CPD-11938-atom10" elementType="O" x2="7292.0" y2="-1784.0"/> <atom id="CPD-11938-atom11" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="CPD-11938-atom12" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="CPD-11938-atom13" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-11938-atom14" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-11938-atom15" elementType="O" x2="2563.0" y2="-5269.0" formalCharge="-1"/> <atom id="CPD-11938-atom16" elementType="O" x2="1834.0" y2="-3789.0" formalCharge="-1"/> <atom id="CPD-11938-atom17" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-11938-atom18" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="CPD-11938-atom19" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="CPD-11938-atom20" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-11938-atom21" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-11938-atom22" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-11938-atom23" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-11938-atom24" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-11938-atom25" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-11938-atom26" elementType="C" x2="5080.0" y2="…

CHEBI CHEBI:38690
structure data: InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:29233
structure data: InChI%3D1S%2Fp%2B1%2Fi%2FhD

CHEBI CHEBI:60723
structure data: InChI%3D1S%2FC34H67O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-33%2837%2941-29-32%2830-43-45%2839%2C40%2942-28-31%2836%2927-35%2944-34%2838%2926-24-22-20-18-16-14-12-10-8-6-4-2%2Fh31-32%2C35-36H%2C3-30H2%2C1-2H3%2C%28H%2C39%2C40%29

biopax-level3ChemicalStructure149536
structure data: <atom id="Phosphatase-2A-leucine-atom1" elementType="O" x2="4175.0" y2="0.0"/> <atom id="Phosphatase-2A-leucine-atom2" elementType="Phosphatase-2A" x2="5204.0" y2="-1286.0"/> <atom id="Phosphatase-2A-leucine-atom3" elementType="C" x2="2162.0" y2="-1408.0"/> <atom id="Phosphatase-2A-leucine-atom4" elementType="C" x2="2877.0" y2="-996.0"/> <atom id="Phosphatase-2A-leucine-atom5" elementType="C" x2="4175.0" y2="-825.0"/> <atom id="Phosphatase-2A-leucine-atom6" elementType="C" x2="3591.0" y2="-1408.0"/> <atom id="Phosphatase-2A-leucine-atom7" elementType="N" x2="3591.0" y2="-2233.0"/> <atom id="Phosphatase-2A-leucine-atom8" elementType="Phosphatase-2A" x2="4655.0" y2="-2835.0"/> <atom id="Phosphatase-2A-leucine-atom9" elementType="C" x2="2162.0" y2="-2233.0"/> <atom id="Phosphatase-2A-leucine-atom10" elementType="C" x2="1448.0" y2="-996.0"/> <bond id="Phosphatase-2A-leucine-bond1" atomRefs="Phosphatase-2A-leucine-atom7 Phosphatase-2A-leucine-atom8" order="1"/> <bond id="Phosphatase-2A-leucine-bond2" atomRefs="Phosphatase-2A-leucine-atom6 Phosphatase-2A-leucine-atom7" order="1"/> <bond id="Phosphatase-2A-leucine-bond3" atomRefs="Phosphatase-2A-leucine-atom1 Phosphatase-2A-leucine-atom5" order="2"/> <bond id="Phosphatase-2A-leucine-bond4" atomRefs="Phosphatase-2A-leucine-atom2 Phosphatase-2A-leucine-atom5" order="1"/> <bond id="Phosphatase-2A-leucine-bond5" atomRefs="Phosphatase-2A-leucine-atom3 Phosphatase-2A-leucine-atom4" order="1"/> <bond id="Phosphatase-2A-leucine-bond6" atomRefs="Phosphatase-2A-leucine-atom4 Phosphatase-2A-leucine-atom6" order="1"/> <bond id="Phosphatase-2A-leucine-bond7" atomRefs="Phosphatase-2A-leucine-atom5 Phosphatase-2A-leucine-atom6" order="1"/> <bond id="Phosphatase-2A-leucine-bond8" atomRefs="Phosphatase-2A-leucine-atom3 Phosphatase-2A-leucine-atom9" order="1"/> <bond id="Phosphatase-2A-leucine-bond9" atomRefs="Phosphatase-2A-leucine-atom3 Phosphatase-2A-leucine-atom10" order="1"/> <formula concise=""/> CC(C)CC(C([a phosphatase-2A])=O)N[a ph…

biopax-level3ChemicalStructure149168
structure data: <atom id="CPD-6442-atom1" elementType="C" x2="-13707.0" y2="-2563.0"/> <atom id="CPD-6442-atom2" elementType="C" x2="-13707.0" y2="5688.0"/> <atom id="CPD-6442-atom3" elementType="C" x2="-6563.0" y2="9813.0"/> <atom id="CPD-6442-atom4" elementType="C" x2="582.0" y2="5688.0"/> <atom id="CPD-6442-atom5" elementType="C" x2="-6563.0" y2="-6688.0"/> <atom id="CPD-6442-atom6" elementType="C" x2="-6563.0" y2="-14938.0"/> <atom id="CPD-6442-atom7" elementType="O" x2="582.0" y2="-19062.0"/> <atom id="CPD-6442-atom8" elementType="O" x2="-13707.0" y2="-19062.0"/> <atom id="CPD-6442-atom9" elementType="C" x2="-20851.0" y2="-14938.0"/> <atom id="CPD-6442-atom10" elementType="C" x2="582.0" y2="-2563.0"/> <atom id="CPD-6442-atom11" elementType="O" x2="7727.0" y2="-6688.0"/> <bond id="CPD-6442-bond1" atomRefs="CPD-6442-atom10 CPD-6442-atom11" order="1"/> <bond id="CPD-6442-bond2" atomRefs="CPD-6442-atom8 CPD-6442-atom9" order="1"/> <bond id="CPD-6442-bond3" atomRefs="CPD-6442-atom6 CPD-6442-atom7" order="2"/> <bond id="CPD-6442-bond4" atomRefs="CPD-6442-atom6 CPD-6442-atom8" order="1"/> <bond id="CPD-6442-bond5" atomRefs="CPD-6442-atom5 CPD-6442-atom6" order="1"/> <bond id="CPD-6442-bond6" atomRefs="CPD-6442-atom10 CPD-6442-atom4" order="1"/> <bond id="CPD-6442-bond7" atomRefs="CPD-6442-atom4 CPD-6442-atom3" order="2"/> <bond id="CPD-6442-bond8" atomRefs="CPD-6442-atom3 CPD-6442-atom2" order="1"/> <bond id="CPD-6442-bond9" atomRefs="CPD-6442-atom2 CPD-6442-atom1" order="2"/> <bond id="CPD-6442-bond10" atomRefs="CPD-6442-atom5 CPD-6442-atom10" order="2"/> <bond id="CPD-6442-bond11" atomRefs="CPD-6442-atom1 CPD-6442-atom5" order="1"/> <formula concise="H 8 O 3 C 8"/> 152.149 C(C1(C=CC=CC=1O))(OC)=O

CHEBI CHEBI:48775
structure data: InChI%3D1S%2FCd%2Fq%2B2

biopax-level3ChemicalStructure169888
structure data: <atom id="N-NITROARGININE-atom1" elementType="O" x2="23645.0" y2="26029.0"/> <atom id="N-NITROARGININE-atom2" elementType="O" x2="16500.0" y2="13654.0"/> <atom id="N-NITROARGININE-atom3" elementType="O" x2="66515.0" y2="-23472.0" formalCharge="-1"/> <atom id="N-NITROARGININE-atom4" elementType="O" x2="59370.0" y2="-11096.0"/> <atom id="N-NITROARGININE-atom5" elementType="N" x2="37935.0" y2="17779.0"/> <atom id="N-NITROARGININE-atom6" elementType="N" x2="45080.0" y2="-11096.0"/> <atom id="N-NITROARGININE-atom7" elementType="N" x2="52224.0" y2="-23472.0"/> <atom id="N-NITROARGININE-atom8" elementType="N" x2="37935.0" y2="-23472.0"/> <atom id="N-NITROARGININE-atom9" elementType="N" x2="59370.0" y2="-19347.0" formalCharge="1"/> <atom id="N-NITROARGININE-atom10" elementType="C" x2="30791.0" y2="5404.0"/> <atom id="N-NITROARGININE-atom11" elementType="C" x2="37935.0" y2="1279.0"/> <atom id="N-NITROARGININE-atom12" elementType="C" x2="30791.0" y2="13654.0"/> <atom id="N-NITROARGININE-atom13" elementType="C" x2="37935.0" y2="-6971.0"/> <atom id="N-NITROARGININE-atom14" elementType="C" x2="23645.0" y2="17779.0"/> <atom id="N-NITROARGININE-atom15" elementType="C" x2="45080.0" y2="-19347.0"/> <bond id="N-NITROARGININE-bond1" atomRefs="N-NITROARGININE-atom1 N-NITROARGININE-atom14" order="1"/> <bond id="N-NITROARGININE-bond2" atomRefs="N-NITROARGININE-atom2 N-NITROARGININE-atom14" order="2"/> <bond id="N-NITROARGININE-bond3" atomRefs="N-NITROARGININE-atom3 N-NITROARGININE-atom9" order="1"/> <bond id="N-NITROARGININE-bond4" atomRefs="N-NITROARGININE-atom4 N-NITROARGININE-atom9" order="2"/> <bond id="N-NITROARGININE-bond5" atomRefs="N-NITROARGININE-atom12 N-NITROARGININE-atom5" order="1"/> <bond id="N-NITROARGININE-bond6" atomRefs="N-NITROARGININE-atom6 N-NITROARGININE-atom13" order="1"/> <bond id="N-NITROARGININE-bond7" atomRefs="N-NITROARGININE-atom6 N-NITROARGININE-atom15" order="2"/> <bond id="N-NITROARGININE-bond8" atomRefs="N-NITROARGININE-atom7 N-NITROARGININE-atom9" order=…

CHEBI CHEBI:59692
structure data: InChI%3D1S%2FC19H29NO%2Fc21-19%2818-11-5-6-12-18%2C17-9-3-1-4-10-17%2913-16-20-14-7-2-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2

biopax-level3ChemicalStructure132092
structure data: <atom id="ADENYLOSUCC-atom1" elementType="O" x2="290720.0" y2="-725890.0"/> <atom id="ADENYLOSUCC-atom2" elementType="O" x2="515950.0" y2="-522100.0"/> <atom id="ADENYLOSUCC-atom3" elementType="O" x2="81820.0" y2="-197680.0"/> <atom id="ADENYLOSUCC-atom4" elementType="O" x2="411870.0" y2="-807040.0" formalCharge="-1"/> <atom id="ADENYLOSUCC-atom5" elementType="O" x2="505540.0" y2="-667550.0" formalCharge="-1"/> <atom id="ADENYLOSUCC-atom6" elementType="O" x2="278660.0" y2="-490.0"/> <atom id="ADENYLOSUCC-atom7" elementType="O" x2="457480.0" y2="0.0"/> <atom id="ADENYLOSUCC-atom8" elementType="O" x2="81580.0" y2="-34220.0" formalCharge="-1"/> <atom id="ADENYLOSUCC-atom9" elementType="O" x2="0.0" y2="-115950.0" formalCharge="-1"/> <atom id="ADENYLOSUCC-atom10" elementType="C" x2="277450.0" y2="-304380.0"/> <atom id="ADENYLOSUCC-atom11" elementType="C" x2="546490.0" y2="-345280.0"/> <atom id="ADENYLOSUCC-atom12" elementType="C" x2="224500.0" y2="-170210.0"/> <atom id="ADENYLOSUCC-atom13" elementType="C" x2="421570.0" y2="-661540.0"/> <atom id="ADENYLOSUCC-atom14" elementType="N" x2="277450.0" y2="-387030.0"/> <atom id="ADENYLOSUCC-atom15" elementType="N" x2="348230.0" y2="-262600.0"/> <atom id="ADENYLOSUCC-atom16" elementType="N" x2="498580.0" y2="-412440.0"/> <atom id="ADENYLOSUCC-atom17" elementType="N" x2="348010.0" y2="-510080.0"/> <atom id="ADENYLOSUCC-atom18" elementType="O" x2="163550.0" y2="-115770.0"/> <atom id="ADENYLOSUCC-atom19" elementType="O" x2="367800.0" y2="-192230.0"/> <atom id="ADENYLOSUCC-atom20" elementType="C" x2="374720.0" y2="-731490.0"/> <atom id="ADENYLOSUCC-atom21" elementType="C" x2="468760.0" y2="-591820.0"/> <atom id="ADENYLOSUCC-atom22" elementType="C" x2="348230.0" y2="-427900.0"/> <atom id="ADENYLOSUCC-atom23" elementType="C" x2="419920.0" y2="-387030.0"/> <atom id="ADENYLOSUCC-atom24" elementType="C" x2="419920.0" y2="-304380.0"/> <atom id="ADENYLOSUCC-atom25" elementType="C" x2="326930.0" y2="-66440.0"/> <atom id="ADENYLOSUCC-atom26" …

CHEBI CHEBI:17899
structure data: InChI%3D1S%2FC27H44O2%2Fc1-17%282%297-6-8-18%283%2921-9-10-22-25-23%2812-14-27%2821%2C22%295%2926%284%2913-11-20%2828%2915-19%2826%2916-24%2825%2929%2Fh15%2C17-18%2C21-25%2C29H%2C6-14%2C16H2%2C1-5H3%2Ft18-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:58463
structure data: InChI%3D1S%2FC19H23NO4%2Fc1-20-7-6-19-10-16%2824-3%2914%2821%299-12%2819%2913%2820%298-11-4-5-15%2823-2%2918%2822%2917%2811%2919%2Fh4-5%2C9-10%2C13-14%2C21-22H%2C6-8H2%2C1-3H3%2Fp%2B1%2Ft13-%2C14%2B%2C19%2B%2Fm1%2Fs1

CHEBI CHEBI:63467
structure data: InChI%3D1S%2FC30H50O%2Fc1-25%282%2915-16-27%285%2917-18-29%287%2920%2821%2827%2919-25%299-10-23-28%286%2913-12-24%2831%2926%283%2C4%2922%2828%2911-14-30%2823%2C29%298%2Fh22-24%2C31H%2C9-19H2%2C1-8H3%2Ft22-%2C23%2B%2C24-%2C27%2B%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

CHEBI CHEBI:60778
structure data: InChI%3D1S%2FC41H42N4O8%2Fc1-9-23-20%282%2929-17-34-27-13-10-26%2839%2849%2952-7%2938%2840%2850%2953-8%2941%2827%2C5%2935%2845-34%2919-30-22%284%2924%2811-14-36%2846%2947%2932%2844-30%2918-33-25%2812-15-37%2848%2951-6%2921%283%2928%2843-33%2916-31%2823%2942-29%2Fh9-10%2C13%2C16-19%2C38%2C43%2C45H%2C1%2C11-12%2C14-15H2%2C2-8H3%2C%28H%2C46%2C47%29%2Fb31-16-%2C32-18-%2C34-17-%2C35-19-%2Ft38-%2C41%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure150902
structure data: <cml> <molecule id="Aryl-sulfates" title="an aryl sulfate" formalCharge="-1" dictRef="dictAryl-sulfates"> <atomArray> <atom id="Aryl-sulfates-atom1" elementType="O" x2="-11280.0" y2="-157810.0"/> <atom id="Aryl-sulfates-atom2" elementType="C" x2="-22540.0" y2="47600.0"/> <atom id="Aryl-sulfates-atom3" elementType="C" x2="-165340.0" y2="47600.0"/> <atom id="Aryl-sulfates-atom4" elementType="O" x2="-93940.0" y2="-240500.0" formalCharge="-1"/> <atom id="Aryl-sulfates-atom5" elementType="C" x2="-22540.0" y2="130280.0"/> <atom id="Aryl-sulfates-atom6" elementType="O" x2="-93940.0" y2="-75160.0"/> <atom id="Aryl-sulfates-atom7" elementType="C" x2="-165340.0" y2="130280.0"/> <atom id="Aryl-sulfates-atom8" elementType="C" x2="-93940.0" y2="171590.0"/> <atom id="Aryl-sulfates-atom9" elementType="R1" x2="-240500.0" y2="-1250.0"/> <atom id="Aryl-sulfates-atom10" elementType="O" x2="-176620.0" y2="-157810.0"/> <atom id="Aryl-sulfates-atom11" elementType="S" x2="-93940.0" y2="-157810.0"/> <atom id="Aryl-sulfates-atom12" elementType="C" x2="-93940.0" y2="7500.0"/> <atom id="Aryl-sulfates-atom13" elementType="R2" x2="43070.0" y2="-2420.0"/> <atom id="Aryl-sulfates-atom14" elementType="R3" x2="40090.0" y2="183970.0"/> <atom id="Aryl-sulfates-atom15" elementType="R" x2="-93940.0" y2="254090.0"/> <atom id="Aryl-sulfates-atom16" elementType="R" x2="-241040.0" y2="163070.0"/> </atomArray> <bondArray> <bond id="Aryl-sulfates-bond1" atomRefs="Aryl-sulfates-atom12 Aryl-sulfates-atom3" order="2"/> <bond id="Aryl-sulfates-bond2" atomRefs="Aryl-sulfates-atom10 Aryl-sulfates-atom11" order="2"/> <bond id="Aryl-sulfates-bond3" atomRefs="Aryl-sulfates-atom8 Aryl-sulfates-atom15" order="1"/> <bond id="Aryl-sulfates-bond4" atomRefs="Aryl-sulfates-atom8 Aryl-sulfates-atom5" order="1"/> <bond id="Aryl-sulfates-bond5" atomRefs="Aryl-sulfates-atom7 Aryl-sulfates-atom16" order="1"/> <bond id="Aryl-sulfates-bond6" atomRefs="Aryl-sulfates-atom7 Aryl-sulfates-atom8" order="2"/> <bond id="Aryl-sulfates-bon…

biopax-level3ChemicalStructure166062
structure data: <atom id="CADAVERINE-atom1" elementType="N" x2="-214230.0" y2="-213520.0" formalCharge="1"/> <atom id="CADAVERINE-atom2" elementType="C" x2="69530.0" y2="-213520.0"/> <atom id="CADAVERINE-atom3" elementType="C" x2="-143640.0" y2="-171170.0"/> <atom id="CADAVERINE-atom4" elementType="N" x2="213520.0" y2="-214230.0" formalCharge="1"/> <atom id="CADAVERINE-atom5" elementType="C" x2="-1060.0" y2="-171170.0"/> <atom id="CADAVERINE-atom6" elementType="C" x2="142940.0" y2="-171170.0"/> <atom id="CADAVERINE-atom7" elementType="C" x2="-71640.0" y2="-213520.0"/> <bond id="CADAVERINE-bond1" atomRefs="CADAVERINE-atom7 CADAVERINE-atom3" order="1"/> <bond id="CADAVERINE-bond2" atomRefs="CADAVERINE-atom6 CADAVERINE-atom2" order="1"/> <bond id="CADAVERINE-bond3" atomRefs="CADAVERINE-atom5 CADAVERINE-atom7" order="1"/> <bond id="CADAVERINE-bond4" atomRefs="CADAVERINE-atom4 CADAVERINE-atom6" order="1"/> <bond id="CADAVERINE-bond5" atomRefs="CADAVERINE-atom3 CADAVERINE-atom1" order="1"/> <bond id="CADAVERINE-bond6" atomRefs="CADAVERINE-atom2 CADAVERINE-atom5" order="1"/> <formula concise="H 16 C 5 N 2"/> 104.195 C([N+])CCCC[N+]

CHEBI CHEBI:3175
structure data: InChI%3D1S%2FC11H10BrN5%2Fc12-9-7%2817-11-15-5-6-16-11%291-2-8-10%289%2914-4-3-13-8%2Fh1-4H%2C5-6H2%2C%28H2%2C15%2C16%2C17%29

biopax-level3ChemicalStructure170297
structure data: <atom id="OBTUSIFOLIOL-atom1" elementType="C" x2="30624.0" y2="8937.0"/> <atom id="OBTUSIFOLIOL-atom2" elementType="C" x2="23479.0" y2="13062.0"/> <atom id="OBTUSIFOLIOL-atom3" elementType="C" x2="44913.0" y2="25437.0"/> <atom id="OBTUSIFOLIOL-atom4" elementType="C" x2="52058.0" y2="21312.0"/> <atom id="OBTUSIFOLIOL-atom5" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="OBTUSIFOLIOL-atom6" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="OBTUSIFOLIOL-atom7" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="OBTUSIFOLIOL-atom8" elementType="C" x2="44913.0" y2="687.0"/> <atom id="OBTUSIFOLIOL-atom9" elementType="C" x2="67048.0" y2="-1863.0"/> <atom id="OBTUSIFOLIOL-atom10" elementType="C" x2="83430.0" y2="-3834.0"/> <atom id="OBTUSIFOLIOL-atom11" elementType="C" x2="104759.0" y2="796.0"/> <atom id="OBTUSIFOLIOL-atom12" elementType="C" x2="93328.0" y2="9368.0"/> <atom id="OBTUSIFOLIOL-atom13" elementType="C" x2="96570.0" y2="1782.0"/> <atom id="OBTUSIFOLIOL-atom14" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="OBTUSIFOLIOL-atom15" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="OBTUSIFOLIOL-atom16" elementType="C" x2="59203.0" y2="-7563.0"/> <atom id="OBTUSIFOLIOL-atom17" elementType="C" x2="70290.0" y2="-9449.0"/> <atom id="OBTUSIFOLIOL-atom18" elementType="C" x2="65341.0" y2="-16050.0"/> <atom id="OBTUSIFOLIOL-atom19" elementType="C" x2="23479.0" y2="21312.0"/> <atom id="OBTUSIFOLIOL-atom20" elementType="O" x2="16336.0" y2="25437.0"/> <atom id="OBTUSIFOLIOL-atom21" elementType="C" x2="78481.0" y2="-10434.0"/> <atom id="OBTUSIFOLIOL-atom22" elementType="C" x2="37769.0" y2="21312.0"/> <atom id="OBTUSIFOLIOL-atom23" elementType="C" x2="59203.0" y2="17187.0"/> <atom id="OBTUSIFOLIOL-atom24" elementType="C" x2="30624.0" y2="25437.0"/> <atom id="OBTUSIFOLIOL-atom25" elementType="C" x2="30374.0" y2="33832.0"/> <atom id="OBTUSIFOLIOL-atom26" elementType="C" x2="91621.0" y2="-4819.0"/> <atom id="OBTUSIFOLIOL-atom27" elementType="C" x2="94863.0" y2="-…

CHEBI CHEBI:61658
structure data: InChI%3D1S%2FC29H48O7S2%2Fc1-2-37-38-21-17-12-10-8-6-4-3-5-7-9-11-16-20-25%2830%2934-22-24-26%2831%2927%2832%2928%2833%2929%2836-24%2935-23-18-14-13-15-19-23%2Fh13-15%2C18-19%2C24%2C26-29%2C31-33H%2C2-12%2C16-17%2C20-22H2%2C1H3%2Ft24-%2C26%2B%2C27%2B%2C28-%2C29-%2Fm1%2Fs1

biopax-level3ChemicalStructure165045
structure data: <cml> <molecule id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE" title="a protein c-terminal s-farnesyl-l-cysteine methyl ester" formalCharge="0" dictRef="dictPROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE"> <atomArray> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom1" elementType="C" x2="-1050.0" y2="-26230.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom2" elementType="C" x2="-72140.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom3" elementType="C" x2="72140.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom4" elementType="N" x2="-1050.0" y2="56970.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom5" elementType="O" x2="-72140.0" y2="-148750.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom6" elementType="Protein" x2="-90910.0" y2="115910.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom7" elementType="O" x2="-143580.0" y2="-24990.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom8" elementType="S" x2="143590.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom9" elementType="C" x2="215030.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom10" elementType="C" x2="286470.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom11" elementType="C" x2="357920.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom12" elementType="C" x2="429370.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom13" elementType="C" x2="500810.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom14" elementType="C" x2="572250.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom15" elementType="C" x2="643700.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom16" elementType="C" x2="715150.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-FARNESYL-L-CYSTEINE-atom17" elementType="C" x2="786590.0" y2="-66250.0"/> <atom id=…

CHEBI CHEBI:16070
structure data: InChI%3D1S%2FC6H12O5%2Fc7-1-4-6%2810%295%289%293%288%292-11-4%2Fh3-10H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure131443
structure data: <cml> <molecule id="DEOXYNUCLEOTIDESM" title="(deoxynucleotides)(m)" formalCharge="0" dictRef="dictDEOXYNUCLEOTIDESM"> <atomArray> <atom id="DEOXYNUCLEOTIDESM-atom1" elementType="O" x2="-241610.0" y2="-264640.0"/> <atom id="DEOXYNUCLEOTIDESM-atom2" elementType="C" x2="-308350.0" y2="-216150.0"/> <atom id="DEOXYNUCLEOTIDESM-atom3" elementType="C" x2="-282860.0" y2="-137690.0"/> <atom id="DEOXYNUCLEOTIDESM-atom4" elementType="C" x2="-200360.0" y2="-137690.0"/> <atom id="DEOXYNUCLEOTIDESM-atom5" elementType="C" x2="-174860.0" y2="-216150.0"/> <atom id="DEOXYNUCLEOTIDESM-atom6" elementType="C" x2="-379800.0" y2="-257400.0"/> <atom id="DEOXYNUCLEOTIDESM-atom7" elementType="O" x2="-451240.0" y2="-216150.0"/> <atom id="DEOXYNUCLEOTIDESM-atom8" elementType="O" x2="-341190.0" y2="-79350.0"/> <atom id="DEOXYNUCLEOTIDESM-atom9" elementType="P" x2="-341190.0" y2="3150.0"/> <atom id="DEOXYNUCLEOTIDESM-atom10" elementType="O" x2="-341190.0" y2="85650.0"/> <atom id="DEOXYNUCLEOTIDESM-atom11" elementType="C" x2="-282860.0" y2="143980.0"/> <atom id="DEOXYNUCLEOTIDESM-atom12" elementType="C" x2="-200360.0" y2="143980.0"/> <atom id="DEOXYNUCLEOTIDESM-atom13" elementType="O" x2="-133610.0" y2="95490.0"/> <atom id="DEOXYNUCLEOTIDESM-atom14" elementType="C" x2="-174860.0" y2="222440.0"/> <atom id="DEOXYNUCLEOTIDESM-atom15" elementType="C" x2="-92360.0" y2="222440.0"/> <atom id="DEOXYNUCLEOTIDESM-atom16" elementType="C" x2="-66870.0" y2="143980.0"/> <atom id="DEOXYNUCLEOTIDESM-atom17" elementType="R" x2="-95180.0" y2="-237500.0"/> <atom id="DEOXYNUCLEOTIDESM-atom18" elementType="R1" x2="12820.0" y2="122630.0"/> <atom id="DEOXYNUCLEOTIDESM-atom19" elementType="O" x2="-233200.0" y2="280780.0"/> <atom id="DEOXYNUCLEOTIDESM-atom20" elementType="P" x2="-233200.0" y2="363280.0"/> <atom id="DEOXYNUCLEOTIDESM-atom21" elementType="O" x2="-150700.0" y2="363280.0"/> <atom id="DEOXYNUCLEOTIDESM-atom22" elementType="O" x2="-315700.0" y2="363280.0"/> <atom id="DEOXYNUCLEOTIDESM-atom23" elementType="O" …

biopax-level3ChemicalStructure163650
structure data: <cml> <molecule id="Protein-S-methyl-L-cysteine" title="a protein-S-methyl-L-cysteine" formalCharge="0" dictRef="dictProtein-S-methyl-L-cysteine"> <atomArray> <atom id="Protein-S-methyl-L-cysteine-atom1" elementType="Protein" x2="-10214.0" y2="-4296.0"/> <atom id="Protein-S-methyl-L-cysteine-atom2" elementType="N" x2="-4381.0" y2="-10129.0"/> <atom id="Protein-S-methyl-L-cysteine-atom3" elementType="C" x2="2764.0" y2="-6004.0"/> <atom id="Protein-S-methyl-L-cysteine-atom4" elementType="O" x2="2764.0" y2="2246.0"/> <atom id="Protein-S-methyl-L-cysteine-atom5" elementType="C" x2="8598.0" y2="-11838.0"/> <atom id="Protein-S-methyl-L-cysteine-atom6" elementType="N" x2="8598.0" y2="-20088.0"/> <atom id="Protein-S-methyl-L-cysteine-atom7" elementType="C" x2="14431.0" y2="-6004.0"/> <atom id="Protein-S-methyl-L-cysteine-atom8" elementType="S" x2="20265.0" y2="-11838.0"/> <atom id="Protein-S-methyl-L-cysteine-atom9" elementType="C" x2="26099.0" y2="-6004.0"/> <atom id="Protein-S-methyl-L-cysteine-atom10" elementType="C" x2="15742.0" y2="-24213.0"/> <atom id="Protein-S-methyl-L-cysteine-atom11" elementType="Protein" x2="15742.0" y2="-32463.0"/> <atom id="Protein-S-methyl-L-cysteine-atom12" elementType="O" x2="22887.0" y2="-20088.0"/> </atomArray> <bondArray> <bond id="Protein-S-methyl-L-cysteine-bond1" atomRefs="Protein-S-methyl-L-cysteine-atom1 Protein-S-methyl-L-cysteine-atom2" order="1"/> <bond id="Protein-S-methyl-L-cysteine-bond2" atomRefs="Protein-S-methyl-L-cysteine-atom2 Protein-S-methyl-L-cysteine-atom3" order="1"/> <bond id="Protein-S-methyl-L-cysteine-bond3" atomRefs="Protein-S-methyl-L-cysteine-atom3 Protein-S-methyl-L-cysteine-atom4" order="2"/> <bond id="Protein-S-methyl-L-cysteine-bond4" atomRefs="Protein-S-methyl-L-cysteine-atom3 Protein-S-methyl-L-cysteine-atom5" order="1"/> <bond id="Protein-S-methyl-L-cysteine-bond5" atomRefs="Protein-S-methyl-L-cysteine-atom5 Protein-S-methyl-L-cysteine-atom6" order="1"/> <bond id="Protein-S-methyl-L-cysteine-bond6" atomR…

biopax-level3ChemicalStructure138359
structure data: <atom id="OROTIDINE-5-PHOSPHATE-atom1" elementType="O" x2="124860.0" y2="255310.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom2" elementType="O" x2="340030.0" y2="49050.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom3" elementType="O" x2="89190.0" y2="-341150.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom4" elementType="O" x2="-341150.0" y2="-149390.0" formalCharge="-1"/> <atom id="OROTIDINE-5-PHOSPHATE-atom5" elementType="C" x2="197330.0" y2="131550.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom6" elementType="C" x2="124860.0" y2="169460.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom7" elementType="O" x2="-256420.0" y2="-231890.0" formalCharge="-1"/> <atom id="OROTIDINE-5-PHOSPHATE-atom8" elementType="C" x2="267570.0" y2="7810.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom9" elementType="C" x2="89190.0" y2="-289860.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom10" elementType="N" x2="130440.0" y2="0.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom11" elementType="C" x2="54630.0" y2="49050.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom12" elementType="P" x2="-256420.0" y2="-149390.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom13" elementType="C" x2="-90310.0" y2="-149390.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom14" elementType="N" x2="54630.0" y2="127090.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom15" elementType="O" x2="-177260.0" y2="-149390.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom16" elementType="O" x2="-11150.0" y2="-2230.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom17" elementType="C" x2="197330.0" y2="49050.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom18" elementType="C" x2="130440.0" y2="-190640.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom19" elementType="C" x2="-90310.0" y2="-202910.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom20" elementType="C" x2="-49050.0" y2="-289860.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom21" elementType="O" x2="-256420.0" y2="-62430.0"/> <atom id="OROTIDINE-5-PHOSPHATE-atom22" elementType="O" x2="267570.0" y2="-75810.0" formalCharge="-1"/> <atom id="OROTIDINE-5-PHOSPHATE-atom23" elementType="O" x2="-49…

biopax-level3ChemicalStructure164706
structure data: <cml> <molecule id="A-METHYLATED-AMINE" title="a methylated amine" formalCharge="0" dictRef="dictA-METHYLATED-AMINE"> <atomArray> <atom id="A-METHYLATED-AMINE-atom1" elementType="C" x2="2425.0" y2="0.0"/> <atom id="A-METHYLATED-AMINE-atom2" elementType="R" x2="0.0" y2="0.0"/> <atom id="A-METHYLATED-AMINE-atom3" elementType="N" x2="1212.0" y2="-700.0"/> </atomArray> <bondArray> <bond id="A-METHYLATED-AMINE-bond1" atomRefs="A-METHYLATED-AMINE-atom2 A-METHYLATED-AMINE-atom3" order="1"/> <bond id="A-METHYLATED-AMINE-bond2" atomRefs="A-METHYLATED-AMINE-atom1 A-METHYLATED-AMINE-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">CN[R]</string> </molecule> </cml>

CHEBI CHEBI:58045
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-3-4%282%295%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft4-%2C5-%2Fm0%2Fs1

CHEBI CHEBI:17191
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-3-4%282%295%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft4-%2C5-%2Fm0%2Fs1

biopax-level3ChemicalStructure143007
structure data: <cml> <molecule id="N-Acetyl-beta-D-Hexosaminides" title="an N-acetyl-beta-D-hexosaminide" formalCharge="0"> <atomArray> <atom id="N-Acetyl-beta-D-Hexosaminides-atom1" elementType="C" x2="4283.0" y2="0.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom2" elementType="O" x2="4993.0" y2="-1236.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom3" elementType="O" x2="0.0" y2="-2473.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom4" elementType="O" x2="710.0" y2="-1244.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom5" elementType="O" x2="2138.0" y2="-419.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom6" elementType="R" x2="4667.0" y2="-2889.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom7" elementType="C" x2="710.0" y2="-2893.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom8" elementType="N" x2="3567.0" y2="-1244.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom9" elementType="O" x2="3567.0" y2="-2893.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom10" elementType="O" x2="2138.0" y2="-2893.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom11" elementType="C" x2="4278.0" y2="-825.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom12" elementType="C" x2="1425.0" y2="-1656.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom13" elementType="C" x2="2138.0" y2="-1244.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom14" elementType="C" x2="1425.0" y2="-2481.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom15" elementType="C" x2="2853.0" y2="-2481.0"/> <atom id="N-Acetyl-beta-D-Hexosaminides-atom16" elementType="C" x2="2853.0" y2="-1656.0"/> </atomArray> <bondArray> <bond id="N-Acetyl-beta-D-Hexosaminides-bond1" atomRefs="N-Acetyl-beta-D-Hexosaminides-atom15 N-Acetyl-beta-D-Hexosaminides-atom16" order="1"/> <bond id="N-Acetyl-beta-D-Hexosaminides-bond2" atomRefs="N-Acetyl-beta-D-Hexosaminides-atom13 N-Acetyl-beta-D-Hexosaminides-atom16" order="1"/> <bond id="N-Acetyl-beta-D-Hexosaminides-bond3" atomRefs="N-Acetyl-beta-D-Hexosaminides-atom12 N-Acetyl-beta-D-Hexosaminides-atom14…

CHEBI CHEBI:30776
structure data: InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:58190
structure data: InChI%3D1S%2FC2H8NO4P%2Fc3-1-2-7-8%284%2C5%296%2Fh1-3H2%2C%28H2%2C4%2C5%2C6%29%2Fp-1

CHEBI CHEBI:16551
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%297%2817%299%2819%2911%2821-3%2923-12-10%2820%298%2818%296%2816%294%282-14%2922-12%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2C7%2B%2C8%2B%2C9-%2C10-%2C11-%2C12-%2Fm1%2Fs1

CHEBI CHEBI:15388
structure data: InChI%3D1S%2FC10H16O%2Fc1-7%282%299-5-4-8%283%2910%2811%296-9%2Fh4%2C9-11H%2C1%2C5-6H2%2C2-3H3%2Ft9-%2C10%2B%2Fm0%2Fs1

CHEBI CHEBI:61649
structure data: InChI%3D1S%2FC43H74O7%2Fc1-7-8-9-10-11-12-13-17-37%2844%2948-27-36-38%2845%2939%2846%2940%2847%2941%2850-36%2949-31-22-24-42%285%2930%2826-31%2918-19-32-34-21-20-33%2829%284%2916-14-15-28%282%293%2943%2834%2C6%2925-23-35%2832%2942%2Fh18%2C28-29%2C31-36%2C38-41%2C45-47H%2C7-17%2C19-27H2%2C1-6H3%2Ft29-%2C31%2B%2C32%2B%2C33-%2C34%2B%2C35%2B%2C36-%2C38%2B%2C39%2B%2C40-%2C41-%2C42%2B%2C43-%2Fm1%2Fs1

CHEBI CHEBI:32387
structure data: InChI%3D1S%2FC18H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb4-3-%2C7-6-%2C10-9-

biopax-level3ChemicalStructure149877
structure data: <atom id="GLUCONATE-atom1" elementType="C" x2="5644.0" y2="21653.0"/> <atom id="GLUCONATE-atom2" elementType="C" x2="-29989.0" y2="16822.0"/> <atom id="GLUCONATE-atom3" elementType="C" x2="-22929.0" y2="21088.0"/> <atom id="GLUCONATE-atom4" elementType="C" x2="-15704.0" y2="17105.0"/> <atom id="GLUCONATE-atom5" elementType="C" x2="-8642.0" y2="21370.0"/> <atom id="GLUCONATE-atom6" elementType="C" x2="-1418.0" y2="17387.0"/> <atom id="GLUCONATE-atom7" elementType="O" x2="12869.0" y2="17670.0"/> <atom id="GLUCONATE-atom8" elementType="O" x2="-1255.0" y2="9139.0"/> <atom id="GLUCONATE-atom9" elementType="O" x2="-8805.0" y2="29618.0"/> <atom id="GLUCONATE-atom10" elementType="O" x2="-15540.0" y2="8857.0"/> <atom id="GLUCONATE-atom11" elementType="O" x2="-23092.0" y2="29336.0"/> <atom id="GLUCONATE-atom12" elementType="O" x2="-29826.0" y2="8574.0"/> <atom id="GLUCONATE-atom13" elementType="O" x2="-37214.0" y2="20805.0" formalCharge="-1"/> <bond id="GLUCONATE-bond1" atomRefs="GLUCONATE-atom13 GLUCONATE-atom2" order="1"/> <bond id="GLUCONATE-bond2" atomRefs="GLUCONATE-atom2 GLUCONATE-atom3" order="1"/> <bond id="GLUCONATE-bond3" atomRefs="GLUCONATE-atom3 GLUCONATE-atom4" order="1"/> <bond id="GLUCONATE-bond4" atomRefs="GLUCONATE-atom4 GLUCONATE-atom5" order="1"/> <bond id="GLUCONATE-bond5" atomRefs="GLUCONATE-atom5 GLUCONATE-atom6" order="1"/> <bond id="GLUCONATE-bond6" atomRefs="GLUCONATE-atom6 GLUCONATE-atom1" order="1"/> <bond id="GLUCONATE-bond7" atomRefs="GLUCONATE-atom1 GLUCONATE-atom7" order="1"/> <bond id="GLUCONATE-bond8" atomRefs="GLUCONATE-atom2 GLUCONATE-atom12" order="2"/> <bond id="GLUCONATE-bond9" atomRefs="GLUCONATE-atom3 GLUCONATE-atom11" order="1"/> <bond id="GLUCONATE-bond10" atomRefs="GLUCONATE-atom4 GLUCONATE-atom10" order="1"/> <bond id="GLUCONATE-bond11" atomRefs="GLUCONATE-atom5 GLUCONATE-atom9" order="1"/> <bond id="GLUCONATE-bond12" atomRefs="GLUCONATE-atom6 GLUCONATE-atom8" order="1"/> <formula concise="H 11 O 7 C 6"/> 195.149 C(O)C(O)C(O)C(O)C(O…

biopax-level3ChemicalStructure161625
structure data: <atom id="CPD-8573-atom1" elementType="O" x2="-17971.0" y2="-14438.0"/> <atom id="CPD-8573-atom2" elementType="C" x2="-25116.0" y2="-10313.0"/> <atom id="CPD-8573-atom3" elementType="C" x2="-25116.0" y2="-2062.0"/> <atom id="CPD-8573-atom4" elementType="C" x2="-17971.0" y2="2063.0"/> <atom id="CPD-8573-atom5" elementType="C" x2="-10829.0" y2="-2062.0"/> <atom id="CPD-8573-atom6" elementType="C" x2="-10829.0" y2="-10313.0"/> <atom id="CPD-8573-atom7" elementType="O" x2="-4995.0" y2="-16146.0"/> <atom id="CPD-8573-atom8" elementType="C" x2="-32261.0" y2="-14438.0"/> <atom id="CPD-8573-atom9" elementType="O" x2="-32261.0" y2="2063.0"/> <atom id="CPD-8573-atom10" elementType="O" x2="-17971.0" y2="10313.0"/> <atom id="CPD-8573-atom11" elementType="N" x2="-3684.0" y2="2063.0"/> <atom id="CPD-8573-atom12" elementType="O" x2="-39405.0" y2="-10313.0"/> <atom id="CPD-8573-atom13" elementType="C" x2="-3684.0" y2="10313.0"/> <atom id="CPD-8573-atom14" elementType="O" x2="4285.0" y2="12448.0"/> <atom id="CPD-8573-atom15" elementType="C" x2="-10829.0" y2="14438.0"/> <atom id="CPD-8573-atom16" elementType="General-Glycoprotein-Substrates" x2="-4995.0" y2="-24396.0"/> <bond id="CPD-8573-bond1" atomRefs="CPD-8573-atom1 CPD-8573-atom2" order="1"/> <bond id="CPD-8573-bond2" atomRefs="CPD-8573-atom2 CPD-8573-atom3" order="1"/> <bond id="CPD-8573-bond3" atomRefs="CPD-8573-atom3 CPD-8573-atom4" order="1"/> <bond id="CPD-8573-bond4" atomRefs="CPD-8573-atom4 CPD-8573-atom5" order="1"/> <bond id="CPD-8573-bond5" atomRefs="CPD-8573-atom5 CPD-8573-atom6" order="1"/> <bond id="CPD-8573-bond6" atomRefs="CPD-8573-atom1 CPD-8573-atom6" order="1"/> <bond id="CPD-8573-bond7" atomRefs="CPD-8573-atom6 CPD-8573-atom7" order="1"/> <bond id="CPD-8573-bond8" atomRefs="CPD-8573-atom2 CPD-8573-atom8" order="1"/> <bond id="CPD-8573-bond9" atomRefs="CPD-8573-atom3 CPD-8573-atom9" order="1"/> <bond id="CPD-8573-bond10" atomRefs="CPD-8573-atom4 CPD-8573-atom10" order="1"/> <bond id="CPD-8573-bond11" atomRefs="…

CHEBI CHEBI:57966
structure data: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

CHEBI CHEBI:16958
structure data: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

CHEBI CHEBI:46900
structure data: InChI%3D1S%2FC45H78O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43%2846%2947-38-30-32-44%285%2937%2834-38%2926-27-39-41-29-28-40%2836%284%2924-22-23-35%282%293%2945%2841%2C6%2933-31-42%2839%2944%2Fh14-15%2C26%2C35-36%2C38-42H%2C7-13%2C16-25%2C27-34H2%2C1-6H3%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C44%2B%2C45-%2Fm1%2Fs1

CHEBI CHEBI:64249
structure data: InChI%3D1S%2FC10H18O3%2Fc1-7%282%299%286-10%2812%2913%295-4-8%283%2911%2Fh8-9%2C11H%2C1%2C4-6H2%2C2-3H3%2C%28H%2C12%2C13%29%2Ft8-%2C9%2B%2Fm1%2Fs1

CHEBI CHEBI:18093
structure data: InChI%3D1S%2FC21H30O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh12%2C14-15%2C18%2C22%2C26H%2C3-11H2%2C1-2H3%2Ft12-%2C14%2B%2C15%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2Fm1%2Fs1

CHEBI CHEBI:59747
structure data: InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3%2Ft11-%2Fm0%2Fs1

CHEBI CHEBI:36065
structure data: InChI%3D1S%2FC2HBrClF3%2Fc3-1%284%292%285%2C6%297%2Fh1H%2Ft1-%2Fm1%2Fs1

CHEBI CHEBI:37755
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-6-4-2-3-5%287%298%2Fh6H%2C2-4H2%2C1H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:3219
structure data: InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3

CHEBI CHEBI:51038
structure data: InChI%3D1S%2FC17H22N4O%2Fc1-14-13-16%2815-5-3-2-4-6-15%2919-20-17%2814%2918-7-8-21-9-11-22-12-10-21%2Fh2-6%2C13H%2C7-12H2%2C1H3%2C%28H%2C18%2C20%29

biopax-level3ChemicalStructure161145
structure data: 4)-N-acetyl-beta-D-glucosaminyl-[glycoprotein]" formalCharge="0" dictRef="dictCPD-8945"> <atom id="CPD-8945-atom1" elementType="O" x2="-25339.0" y2="-9723.0"/> <atom id="CPD-8945-atom2" elementType="C" x2="-32484.0" y2="-5598.0"/> <atom id="CPD-8945-atom3" elementType="C" x2="-32484.0" y2="2652.0"/> <atom id="CPD-8945-atom4" elementType="C" x2="-25339.0" y2="6777.0"/> <atom id="CPD-8945-atom5" elementType="C" x2="-18195.0" y2="2652.0"/> <atom id="CPD-8945-atom6" elementType="C" x2="-18195.0" y2="-5598.0"/> <atom id="CPD-8945-atom7" elementType="O" x2="2652.0" y2="-24750.0"/> <atom id="CPD-8945-atom8" elementType="C" x2="-4493.0" y2="-20625.0"/> <atom id="CPD-8945-atom9" elementType="C" x2="-4493.0" y2="-12375.0"/> <atom id="CPD-8945-atom10" elementType="C" x2="2652.0" y2="-8250.0"/> <atom id="CPD-8945-atom11" elementType="C" x2="9796.0" y2="-12375.0"/> <atom id="CPD-8945-atom12" elementType="C" x2="9796.0" y2="-20625.0"/> <atom id="CPD-8945-atom13" elementType="O" x2="-11050.0" y2="-9723.0"/> <atom id="CPD-8945-atom14" elementType="C" x2="-40453.0" y2="-7734.0"/> <atom id="CPD-8945-atom15" elementType="O" x2="-39629.0" y2="6777.0"/> <atom id="CPD-8945-atom16" elementType="O" x2="-25339.0" y2="15027.0"/> <atom id="CPD-8945-atom17" elementType="N" x2="-12361.0" y2="8486.0"/> <atom id="CPD-8945-atom18" elementType="N" x2="16941.0" y2="-8250.0"/> <atom id="CPD-8945-atom19" elementType="C" x2="-12180.0" y2="-24637.0"/> <atom id="CPD-8945-atom20" elementType="O" x2="-19512.0" y2="-20324.0"/> <atom id="CPD-8945-atom21" elementType="O" x2="2652.0" y2="0.0"/> <atom id="CPD-8945-atom22" elementType="C" x2="16941.0" y2="0.0"/> <atom id="CPD-8945-atom23" elementType="C" x2="11127.0" y2="5456.0"/> <atom id="CPD-8945-atom24" elementType="O" x2="24086.0" y2="4125.0"/> <atom id="CPD-8945-atom25" elementType="C" x2="-12361.0" y2="16736.0"/> <atom id="CPD-8945-atom26" elementType="C" x2="-18195.0" y2="22569.0"/> <atom id="CPD-8945-atom27" elementType="O" x2="-5216.0" y2="20861.0"/> <…

CHEBI CHEBI:11851
structure data: InChI%3D1S%2FC5H8O3%2Fc1-3%282%294%286%295%287%298%2Fh3H%2C1-2H3%2C%28H%2C7%2C8%29%2Fp-1

CHEBI CHEBI:16187
structure data: InChI%3D1S%2FC6H9NO2%2Fc8-6%289%295-3-1-2-4-7-5%2Fh1-4H2%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:17588
structure data: InChI%3D1S%2FC4H9NO2S%2Fc5-3%281-2-8%294%286%297%2Fh3%2C8H%2C1-2%2C5H2%2C%28H%2C6%2C7%29%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:58199
structure data: InChI%3D1S%2FC4H9NO2S%2Fc5-3%281-2-8%294%286%297%2Fh3%2C8H%2C1-2%2C5H2%2C%28H%2C6%2C7%29%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:57684
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-2-3%288%294%289%295%2810%296%2814-2%2915-16%2811%2C12%2913%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5-%2C6%2B%2Fm1%2Fs1

CHEBI CHEBI:38635
structure data: InChI%3D1S%2FC6H7N5%2Fc1-11-3-10-5%287%294-6%2811%299-2-8-4%2Fh2-3H%2C7H2%2C1H3

biopax-level3ChemicalStructure167679
structure data: <atom id="LIPOAMIDE-atom1" elementType="N" x2="55333.0" y2="-16897.0"/> <atom id="LIPOAMIDE-atom2" elementType="O" x2="50851.0" y2="-3326.0"/> <atom id="LIPOAMIDE-atom3" elementType="C" x2="35181.0" y2="-8499.0"/> <atom id="LIPOAMIDE-atom4" elementType="C" x2="27342.0" y2="-11082.0"/> <atom id="LIPOAMIDE-atom5" elementType="C" x2="0.0" y2="-8180.0"/> <atom id="LIPOAMIDE-atom6" elementType="C" x2="41338.0" y2="-13990.0"/> <atom id="LIPOAMIDE-atom7" elementType="C" x2="21185.0" y2="-5591.0"/> <atom id="LIPOAMIDE-atom8" elementType="C" x2="6629.0" y2="-3374.0"/> <atom id="LIPOAMIDE-atom9" elementType="S" x2="2501.0" y2="-16072.0"/> <atom id="LIPOAMIDE-atom10" elementType="S" x2="10799.0" y2="-16072.0"/> <atom id="LIPOAMIDE-atom11" elementType="C" x2="49170.0" y2="-11401.0"/> <atom id="LIPOAMIDE-atom12" elementType="C" x2="13353.0" y2="-8180.0"/> <bond id="LIPOAMIDE-bond1" atomRefs="LIPOAMIDE-atom10 LIPOAMIDE-atom12" order="1"/> <bond id="LIPOAMIDE-bond2" atomRefs="LIPOAMIDE-atom9 LIPOAMIDE-atom10" order="1"/> <bond id="LIPOAMIDE-bond3" atomRefs="LIPOAMIDE-atom8 LIPOAMIDE-atom12" order="1"/> <bond id="LIPOAMIDE-bond4" atomRefs="LIPOAMIDE-atom12 LIPOAMIDE-atom7" order="1"/> <bond id="LIPOAMIDE-bond5" atomRefs="LIPOAMIDE-atom6 LIPOAMIDE-atom11" order="1"/> <bond id="LIPOAMIDE-bond6" atomRefs="LIPOAMIDE-atom5 LIPOAMIDE-atom9" order="1"/> <bond id="LIPOAMIDE-bond7" atomRefs="LIPOAMIDE-atom5 LIPOAMIDE-atom8" order="1"/> <bond id="LIPOAMIDE-bond8" atomRefs="LIPOAMIDE-atom4 LIPOAMIDE-atom7" order="1"/> <bond id="LIPOAMIDE-bond9" atomRefs="LIPOAMIDE-atom3 LIPOAMIDE-atom6" order="1"/> <bond id="LIPOAMIDE-bond10" atomRefs="LIPOAMIDE-atom3 LIPOAMIDE-atom4" order="1"/> <bond id="LIPOAMIDE-bond11" atomRefs="LIPOAMIDE-atom2 LIPOAMIDE-atom11" order="2"/> <bond id="LIPOAMIDE-bond12" atomRefs="LIPOAMIDE-atom1 LIPOAMIDE-atom11" order="1"/> <formula concise="H 15 S 2 C 8 O 1 N 1"/> 205.333 C1(CC(CCCCC(N)=O)SS1)

biopax-level3ChemicalStructure147434
structure data: <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom1" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom2" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom3" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom4" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom5" elementType="O" x2="7292.0" y2="-1784.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom6" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom7" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom8" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom9" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom10" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom11" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom12" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom13" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom14" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom15" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom16" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom17" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom18" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom19" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom20" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="INOSITOL-1456-TETRAKISPHOSPHATE-atom2…

CHEBI CHEBI:18363
structure data: InChI%3D1S%2FC19H21NO4%2Fc1-20-7-6-13-10-19%2824-3%2917%2822%2911-14%2813%2915%2820%298-12-4-5-18%2823-2%2916%2821%299-12%2Fh4-5%2C9-11H%2C6-8H2%2C1-3H3%2C%28H-%2C21%2C22%29%2Fp%2B1

CHEBI CHEBI:16393
structure data: InChI%3D1S%2FC18H37NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18%2821%2917%2819%2916-20%2Fh14-15%2C17-18%2C20-21H%2C2-13%2C16%2C19H2%2C1H3%2Fb15-14%2B%2Ft17-%2C18%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure134234
structure data: <cml> <molecule id="CIS-DELTA3-ENOYL-COA" title="a cis-3-enoyl-CoA" formalCharge="-4" dictRef="dictCIS-DELTA3-ENOYL-COA"> <atomArray> <atom id="CIS-DELTA3-ENOYL-COA-atom1" elementType="C" x2="-33164.0" y2="-10181.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom2" elementType="C" x2="-58552.0" y2="4831.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom3" elementType="N" x2="-62126.0" y2="-2604.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom4" elementType="C" x2="-70353.0" y2="-3226.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom5" elementType="O" x2="-75005.0" y2="3587.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom6" elementType="C" x2="-73927.0" y2="-10662.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom7" elementType="C" x2="-82155.0" y2="-11284.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom8" elementType="N" x2="-85729.0" y2="-18721.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom9" elementType="C" x2="-93955.0" y2="-19344.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom10" elementType="O" x2="-98606.0" y2="-12530.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom11" elementType="C" x2="-97528.0" y2="-26779.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom12" elementType="O" x2="-92877.0" y2="-33591.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom13" elementType="C" x2="-105755.0" y2="-27401.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom14" elementType="C" x2="-105133.0" y2="-35628.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom15" elementType="C" x2="-106378.0" y2="-19175.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom16" elementType="C" x2="-113982.0" y2="-28024.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom17" elementType="O" x2="-117556.0" y2="-35459.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom18" elementType="P" x2="-125782.0" y2="-36082.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom19" elementType="O" x2="-125159.0" y2="-44309.0" formalCharge="-1"/> <atom id="CIS-DELTA3-ENOYL-COA-atom20" elementType="O" x2="-126404.0" y2="-27855.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom21" elementType="O" x2="-134009.0" y2="-36705.0"/> <atom id="CIS-DELTA3-ENOYL-COA-atom22" elementType="P" x2="-138662.0"…

CHEBI CHEBI:42589
structure data: InChI%3D1S%2FC6H12O5%2Fc1-2-3%287%294%288%295%289%296%2810%2911-2%2Fh2-10H%2C1H3%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6-%2Fm0%2Fs1

CHEBI CHEBI:16418
structure data: InChI%3D1S%2FC21H32O3%2Fc1-13%2822%2921%2824%2911-8-18-16-5-4-14-12-15%2823%296-9-19%2814%2C2%2917%2816%297-10-20%2818%2C21%293%2Fh12-13%2C16-18%2C22%2C24H%2C4-11H2%2C1-3H3%2Ft13-%2C16%2B%2C17-%2C18-%2C19-%2C20-%2C21-%2Fm0%2Fs1

CHEBI CHEBI:17418
structure data: InChI%3D1S%2FC5H10O2%2Fc1-2-3-4-5%286%297%2Fh2-4H2%2C1H3%2C%28H%2C6%2C7%29

biopax-level3ChemicalStructure141991
structure data: <atom id="CPD0-2377-atom1" elementType="C" x2="-172720.0" y2="-43380.0"/> <atom id="CPD0-2377-atom2" elementType="C" x2="99270.0" y2="-83300.0"/> <atom id="CPD0-2377-atom3" elementType="N" x2="-123750.0" y2="-110450.0"/> <atom id="CPD0-2377-atom4" elementType="O" x2="26880.0" y2="122690.0"/> <atom id="CPD0-2377-atom5" elementType="N" x2="27410.0" y2="-126410.0"/> <atom id="CPD0-2377-atom6" elementType="C" x2="-43380.0" y2="-84360.0"/> <atom id="CPD0-2377-atom7" elementType="C" x2="-43380.0" y2="-1860.0"/> <atom id="CPD0-2377-atom8" elementType="N" x2="99270.0" y2="-1860.0"/> <atom id="CPD0-2377-atom9" elementType="C" x2="26880.0" y2="40190.0"/> <atom id="CPD0-2377-atom10" elementType="N" x2="172190.0" y2="-125880.0"/> <atom id="CPD0-2377-atom11" elementType="N" x2="-123750.0" y2="24220.0"/> <atom id="CPD0-2377-atom12" elementType="C" x2="-154810.0" y2="100650.0"/> <bond id="CPD0-2377-bond1" atomRefs="CPD0-2377-atom10 CPD0-2377-atom2" order="1"/> <bond id="CPD0-2377-bond2" atomRefs="CPD0-2377-atom9 CPD0-2377-atom8" order="1"/> <bond id="CPD0-2377-bond3" atomRefs="CPD0-2377-atom8 CPD0-2377-atom2" order="1"/> <bond id="CPD0-2377-bond4" atomRefs="CPD0-2377-atom7 CPD0-2377-atom9" order="1"/> <bond id="CPD0-2377-bond5" atomRefs="CPD0-2377-atom7 CPD0-2377-atom6" order="2"/> <bond id="CPD0-2377-bond6" atomRefs="CPD0-2377-atom6 CPD0-2377-atom3" order="1"/> <bond id="CPD0-2377-bond7" atomRefs="CPD0-2377-atom5 CPD0-2377-atom6" order="1"/> <bond id="CPD0-2377-bond8" atomRefs="CPD0-2377-atom4 CPD0-2377-atom9" order="2"/> <bond id="CPD0-2377-bond9" atomRefs="CPD0-2377-atom11 CPD0-2377-atom7" order="1"/> <bond id="CPD0-2377-bond10" atomRefs="CPD0-2377-atom3 CPD0-2377-atom1" order="1"/> <bond id="CPD0-2377-bond11" atomRefs="CPD0-2377-atom2 CPD0-2377-atom5" order="2"/> <bond id="CPD0-2377-bond12" atomRefs="CPD0-2377-atom1 CPD0-2377-atom11" order="2"/> <bond id="CPD0-2377-bond13" atomRefs="CPD0-2377-atom11 CPD0-2377-atom12" order="1"/> <formula concise="H 8 O 1 N 5 C 6"/> 166.162 C2(…

CHEBI CHEBI:16450
structure data: InChI%3D1S%2FC9H12N2O5%2Fc12-4-6-5%2813%293-8%2816-6%2911-2-1-7%2814%2910-9%2811%2915%2Fh1-2%2C5-6%2C8%2C12-13H%2C3-4H2%2C%28H%2C10%2C14%2C15%29%2Ft5-%2C6%2B%2C8%2B%2Fm0%2Fs1

CHEBI CHEBI:28932
structure data: InChI%3D1S%2FC18H32O3%2Fc1-2-3-4-5-6-7-8-11-14-17%2819%2915-12-9-10-13-16-18%2820%2921%2Fh6-7%2C11%2C14%2C17%2C19H%2C2-5%2C8-10%2C12-13%2C15-16H2%2C1H3%2C%28H%2C20%2C21%29%2Fb7-6-%2C14-11-%2Ft17-%2Fm0%2Fs1

CHEBI CHEBI:16347
structure data: InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3%2Ft6-%2Fm1%2Fs1

biopax-level3ChemicalStructure140644
structure data: <atom id="CPD-11928-atom1" elementType="O" x2="1408.0" y2="934.0"/> <atom id="CPD-11928-atom2" elementType="O" x2="1318.0" y2="1127.0"/> <atom id="CPD-11928-atom3" elementType="O" x2="1814.0" y2="906.0"/> <atom id="CPD-11928-atom4" elementType="O" x2="1247.0" y2="876.0"/> <atom id="CPD-11928-atom5" elementType="N" x2="1553.0" y2="959.0"/> <atom id="CPD-11928-atom6" elementType="N" x2="1655.0" y2="881.0"/> <atom id="CPD-11928-atom7" elementType="N" x2="1615.0" y2="1096.0" formalCharge="1"/> <atom id="CPD-11928-atom8" elementType="N" x2="1764.0" y2="1122.0"/> <atom id="CPD-11928-atom9" elementType="C" x2="1616.0" y2="1004.0"/> <atom id="CPD-11928-atom10" elementType="C" x2="1474.0" y2="982.0"/> <atom id="CPD-11928-atom11" elementType="C" x2="1678.0" y2="957.0"/> <atom id="CPD-11928-atom12" elementType="C" x2="1569.0" y2="881.0"/> <atom id="CPD-11928-atom13" elementType="C" x2="1343.0" y2="982.0"/> <atom id="CPD-11928-atom14" elementType="C" x2="1449.0" y2="1061.0"/> <atom id="CPD-11928-atom15" elementType="C" x2="1366.0" y2="1061.0"/> <atom id="CPD-11928-atom16" elementType="C" x2="1766.0" y2="974.0"/> <atom id="CPD-11928-atom17" elementType="C" x2="1798.0" y2="1048.0"/> <atom id="CPD-11928-atom18" elementType="C" x2="1684.0" y2="1144.0"/> <atom id="CPD-11928-atom19" elementType="C" x2="1264.0" y2="954.0"/> <bond id="CPD-11928-bond1" atomRefs="CPD-11928-atom1 CPD-11928-atom10" order="1"/> <bond id="CPD-11928-bond2" atomRefs="CPD-11928-atom1 CPD-11928-atom13" order="1"/> <bond id="CPD-11928-bond3" atomRefs="CPD-11928-atom15 CPD-11928-atom2" order="1"/> <bond id="CPD-11928-bond4" atomRefs="CPD-11928-atom16 CPD-11928-atom3" order="1"/> <bond id="CPD-11928-bond5" atomRefs="CPD-11928-atom4 CPD-11928-atom19" order="1"/> <bond id="CPD-11928-bond6" atomRefs="CPD-11928-atom5 CPD-11928-atom9" order="1"/> <bond id="CPD-11928-bond7" atomRefs="CPD-11928-atom10 CPD-11928-atom5" order="1"/> <bond id="CPD-11928-bond8" atomRefs="CPD-11928-atom5 CPD-11928-atom12" order="1"/> <bond id="…

CHEBI CHEBI:16040
structure data: InChI%3D1S%2FC4H5N3O%2Fc5-3-1-2-6-4%288%297-3%2Fh1-2H%2C%28H3%2C5%2C6%2C7%2C8%29

biopax-level3ChemicalStructure134169
structure data: <cml> <molecule id="Trans-3-enoyl-CoAs" title="a trans-3-enoyl-CoA" formalCharge="-4" dictRef="dictTrans-3-enoyl-CoAs"> <atomArray> <atom id="Trans-3-enoyl-CoAs-atom1" elementType="C" x2="-17086.0" y2="-4692.0"/> <atom id="Trans-3-enoyl-CoAs-atom2" elementType="O" x2="-14297.0" y2="-9028.0"/> <atom id="Trans-3-enoyl-CoAs-atom3" elementType="C" x2="-14396.0" y2="-1102.0"/> <atom id="Trans-3-enoyl-CoAs-atom4" elementType="C" x2="-10131.0" y2="-3057.0"/> <atom id="Trans-3-enoyl-CoAs-atom5" elementType="C" x2="-6221.0" y2="-569.0"/> <atom id="Trans-3-enoyl-CoAs-atom6" elementType="R1" x2="-2158.0" y2="-2915.0"/> <atom id="Trans-3-enoyl-CoAs-atom7" elementType="C" x2="-28944.0" y2="-8744.0"/> <atom id="Trans-3-enoyl-CoAs-atom8" elementType="N" x2="-34276.0" y2="-8638.0"/> <atom id="Trans-3-enoyl-CoAs-atom9" elementType="C" x2="-38161.0" y2="-12227.0"/> <atom id="Trans-3-enoyl-CoAs-atom10" elementType="O" x2="-42225.0" y2="-9881.0"/> <atom id="Trans-3-enoyl-CoAs-atom11" elementType="C" x2="-38161.0" y2="-16919.0"/> <atom id="Trans-3-enoyl-CoAs-atom12" elementType="C" x2="-42225.0" y2="-19265.0"/> <atom id="Trans-3-enoyl-CoAs-atom13" elementType="N" x2="-42225.0" y2="-23957.0"/> <atom id="Trans-3-enoyl-CoAs-atom14" elementType="C" x2="-46288.0" y2="-26303.0"/> <atom id="Trans-3-enoyl-CoAs-atom15" elementType="O" x2="-50351.0" y2="-23957.0"/> <atom id="Trans-3-enoyl-CoAs-atom16" elementType="C" x2="-46288.0" y2="-30994.0"/> <atom id="Trans-3-enoyl-CoAs-atom17" elementType="O" x2="-42225.0" y2="-33340.0"/> <atom id="Trans-3-enoyl-CoAs-atom18" elementType="C" x2="-50351.0" y2="-33340.0"/> <atom id="Trans-3-enoyl-CoAs-atom19" elementType="C" x2="-48005.0" y2="-37404.0"/> <atom id="Trans-3-enoyl-CoAs-atom20" elementType="C" x2="-52697.0" y2="-29277.0"/> <atom id="Trans-3-enoyl-CoAs-atom21" elementType="C" x2="-54414.0" y2="-35686.0"/> <atom id="Trans-3-enoyl-CoAs-atom22" elementType="O" x2="-54414.0" y2="-40378.0"/> <atom id="Trans-3-enoyl-CoAs-atom23" elementType="P" x2="-5847…

CHEBI CHEBI:28319
structure data: InChI%3D1S%2FC6H13O8P%2Fc1-2-3%287%294%288%295%289%296%2813-2%2914-15%2810%2C11%2912%2Fh2-9H%2C1H3%2C%28H2%2C10%2C11%2C12%29%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6%3F%2Fm0%2Fs1

CHEBI CHEBI:33199
structure data: InChI%3D1S%2FC3H2O2%2Fc1-2-3%284%295%2Fh1H%2C%28H%2C4%2C5%29

CHEBI CHEBI:4912
structure data: InChI%3D1S%2FC25H33NO3%2Fc1-5-9-22%282%2C27%2918-15-23-10-11-25%2818%2C28-4%2921-24%2823%2912-13-26%283%2919%2823%2914-16-7-6-8-17%2829-21%2920%2816%2924%2Fh6-8%2C10-11%2C18-19%2C21%2C27H%2C5%2C9%2C12-15H2%2C1-4H3%2Ft18-%2C19-%2C21-%2C22-%2C23-%2C24%2B%2C25-%2Fm1%2Fs1

CHEBI CHEBI:4194
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2

biopax-level3ChemicalStructure160321
structure data: <atom id="CPD-11412-atom1" elementType="C" x2="-29758.0" y2="5893.0"/> <atom id="CPD-11412-atom2" elementType="C" x2="-36903.0" y2="10018.0"/> <atom id="CPD-11412-atom3" elementType="C" x2="-36903.0" y2="18268.0"/> <atom id="CPD-11412-atom4" elementType="C" x2="-29758.0" y2="22392.0"/> <atom id="CPD-11412-atom5" elementType="C" x2="-22613.0" y2="18268.0"/> <atom id="CPD-11412-atom6" elementType="C" x2="-22613.0" y2="10018.0"/> <atom id="CPD-11412-atom7" elementType="O" x2="-44047.0" y2="22392.0"/> <atom id="CPD-11412-atom8" elementType="I" x2="-44047.0" y2="5893.0"/> <atom id="CPD-11412-atom9" elementType="O" x2="-15470.0" y2="5893.0"/> <atom id="CPD-11412-atom10" elementType="C" x2="-8627.0" y2="1283.0"/> <atom id="CPD-11412-atom11" elementType="C" x2="-1483.0" y2="-11092.0"/> <atom id="CPD-11412-atom12" elementType="C" x2="-8627.0" y2="-6967.0"/> <atom id="CPD-11412-atom13" elementType="C" x2="-1483.0" y2="5408.0"/> <atom id="CPD-11412-atom14" elementType="C" x2="5662.0" y2="1283.0"/> <atom id="CPD-11412-atom15" elementType="C" x2="5662.0" y2="-6967.0"/> <atom id="CPD-11412-atom16" elementType="I" x2="-15772.0" y2="-11092.0"/> <atom id="CPD-11412-atom17" elementType="I" x2="-1483.0" y2="13658.0"/> <atom id="CPD-11412-atom18" elementType="C" x2="12807.0" y2="-11092.0"/> <atom id="CPD-11412-atom19" elementType="C" x2="19563.0" y2="-15826.0"/> <atom id="CPD-11412-atom20" elementType="O" x2="27040.0" y2="-12341.0"/> <atom id="CPD-11412-atom21" elementType="O" x2="18842.0" y2="-24043.0"/> <atom id="CPD-11412-atom22" elementType="C" x2="25172.0" y2="-29333.0"/> <atom id="CPD-11412-atom23" elementType="C" x2="32316.0" y2="-41709.0"/> <atom id="CPD-11412-atom24" elementType="O" x2="25172.0" y2="-37584.0"/> <atom id="CPD-11412-atom25" elementType="C" x2="32316.0" y2="-25208.0"/> <atom id="CPD-11412-atom26" elementType="C" x2="39461.0" y2="-29333.0"/> <atom id="CPD-11412-atom27" elementType="C" x2="39461.0" y2="-37584.0"/> <atom id="CPD-11412-atom28" elementType="O" x2="323…

CHEBI CHEBI:15421
structure data: InChI%3D1S%2FC10H14O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3%2C7%2C10H%2C1%2C4-6H2%2C2H3

CHEBI CHEBI:64958
structure data: InChI%3D1S%2FC44H89NO5%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42%2848%2944%2850%2945-40%2839-46%2943%2849%2941%2847%2937-35-33-31-29-27-16-14-12-10-8-6-4-2%2Fh40-43%2C46-49H%2C3-39H2%2C1-2H3%2C%28H%2C45%2C50%29%2Ft40-%2C41%3F%2C42%3F%2C43-%2Fm0%2Fs1

CHEBI CHEBI:29234
structure data: InChI%3D1S%2Fp%2B1%2Fi%2FhT

CHEBI CHEBI:31013
structure data: InChI%3D1S%2FC26H52O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26%2827%2928%2Fh2-25H2%2C1H3%2C%28H%2C27%2C28%29%2Fp-1

CHEBI CHEBI:43197
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-9-11%2813%2910-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29%2Ft11-%2Fm1%2Fs1

CHEBI CHEBI:41218
structure data: InChI%3D1S%2FC2H6OS%2Fc3-1-2-4%2Fh3-4H%2C1-2H2

biopax-level3ChemicalStructure159833
structure data: <atom id="CPD-2752-atom1" elementType="C" x2="2918800.0" y2="-506700.0"/> <atom id="CPD-2752-atom2" elementType="O" x2="6493200.0" y2="-1071800.0"/> <atom id="CPD-2752-atom3" elementType="O" x2="4080500.0" y2="-989800.0"/> <atom id="CPD-2752-atom4" elementType="O" x2="7436400.0" y2="-1375200.0" formalCharge="-1"/> <atom id="CPD-2752-atom5" elementType="O" x2="7548700.0" y2="-3589800.0"/> <atom id="CPD-2752-atom6" elementType="O" x2="5370100.0" y2="-3308800.0"/> <atom id="CPD-2752-atom7" elementType="O" x2="7846500.0" y2="-2473700.0"/> <atom id="CPD-2752-atom8" elementType="C" x2="0.0" y2="-1318100.0"/> <atom id="CPD-2752-atom9" elementType="C" x2="2900.0" y2="-416300.0"/> <atom id="CPD-2752-atom10" elementType="C" x2="760900.0" y2="-1801800.0"/> <atom id="CPD-2752-atom11" elementType="C" x2="1598800.0" y2="-483700.0"/> <atom id="CPD-2752-atom12" elementType="C" x2="2586800.0" y2="-2583200.0"/> <atom id="CPD-2752-atom13" elementType="N" x2="837800.0" y2="0.0"/> <atom id="CPD-2752-atom14" elementType="O" x2="5291500.0" y2="-1616800.0"/> <atom id="CPD-2752-atom15" elementType="O" x2="4236800.0" y2="-2589100.0"/> <atom id="CPD-2752-atom16" elementType="C" x2="6761900.0" y2="-1939000.0"/> <atom id="CPD-2752-atom17" elementType="C" x2="3674200.0" y2="-1801600.0"/> <atom id="CPD-2752-atom18" elementType="C" x2="1560400.0" y2="-1384600.0"/> <atom id="CPD-2752-atom19" elementType="C" x2="6749700.0" y2="-3386300.0"/> <atom id="CPD-2752-atom20" elementType="C" x2="5536300.0" y2="-2606900.0"/> <atom id="CPD-2752-atom21" elementType="C" x2="7047800.0" y2="-2269300.0"/> <atom id="CPD-2752-atom22" elementType="C" x2="4942500.0" y2="-3016300.0"/> <atom id="CPD-2752-atom23" elementType="C" x2="6385000.0" y2="-2553900.0"/> <atom id="CPD-2752-atom24" elementType="N" x2="2916200.0" y2="-1331600.0"/> <atom id="CPD-2752-atom25" elementType="C" x2="3411800.0" y2="-2583700.0"/> <atom id="CPD-2752-atom26" elementType="C" x2="2256700.0" y2="-1827200.0"/> <bond id="CPD-2752-bond1" atomRefs="C…

biopax-level3ChemicalStructure171467
structure data: <cml> <molecule id="Alkyl-Hydro-Peroxides" title="an organic hydroperoxide" formalCharge="0" dictRef="dictAlkyl-Hydro-Peroxides"> <atomArray> <atom id="Alkyl-Hydro-Peroxides-atom1" elementType="O" x2="1429.0" y2="0.0"/> <atom id="Alkyl-Hydro-Peroxides-atom2" elementType="R" x2="0.0" y2="0.0"/> <atom id="Alkyl-Hydro-Peroxides-atom3" elementType="O" x2="714.0" y2="-412.0"/> </atomArray> <bondArray> <bond id="Alkyl-Hydro-Peroxides-bond1" atomRefs="Alkyl-Hydro-Peroxides-atom2 Alkyl-Hydro-Peroxides-atom3" order="1"/> <bond id="Alkyl-Hydro-Peroxides-bond2" atomRefs="Alkyl-Hydro-Peroxides-atom1 Alkyl-Hydro-Peroxides-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">OO[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure161419
structure data: <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom1" elementType="C" x2="412380.0" y2="-234710.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom2" elementType="C" x2="942120.0" y2="-98900.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom3" elementType="O" x2="286630.0" y2="-238040.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom4" elementType="O" x2="1014170.0" y2="-181070.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom5" elementType="O" x2="0.0" y2="-487820.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom6" elementType="O" x2="543140.0" y2="-1670.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom7" elementType="O" x2="913600.0" y2="-295030.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom8" elementType="O" x2="804640.0" y2="-353740.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom9" elementType="O" x2="67040.0" y2="-372130.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom10" elementType="O" x2="719140.0" y2="0.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom11" elementType="O" x2="476090.0" y2="-348670.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom12" elementType="O" x2="1061150.0" y2="-367130.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom13" elementType="O" x2="211200.0" y2="-290030.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom14" elementType="O" x2="831490.0" y2="-55310.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom15" elementType="O" x2="566600.0" y2="-283300.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom16" elementType="C" x2="68710.0" y2="-536470.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom17" elementType="C" x2="543140.0" y2="-85500.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom18" elementType="C" x2="430840.0" y2="-536470.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom19" elementType="C" x2="784520.0" y2="-563260.0"/> <atom id="6-26-BISN-ACETYL-ETCETERA-MANNOSYL-R-atom20" elementType="N" x2="350340.0" y2…

CHEBI CHEBI:9171
structure data: InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3

CHEBI CHEBI:37515
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-3-4%288%295%289%296%2810%2C15-3%292-14-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft3-%2C4-%2C5%2B%2C6%3F%2Fm1%2Fs1

CHEBI CHEBI:44667
structure data: InChI%3D1S%2FC5H12N2O2%2Fc6-3-1-2-4%287%295%288%299%2Fh4H%2C1-3%2C6-7H2%2C%28H%2C8%2C9%29%2Fp%2B2%2Ft4-%2Fm0%2Fs1

biopax-level3ChemicalStructure139491
structure data: <atom id="CPD-11700-atom1" elementType="O" x2="6594.0" y2="-3285.0"/> <atom id="CPD-11700-atom2" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="CPD-11700-atom3" elementType="O" x2="4365.0" y2="-6600.0"/> <atom id="CPD-11700-atom4" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-11700-atom5" elementType="O" x2="1490.0" y2="-4918.0"/> <atom id="CPD-11700-atom6" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-11700-atom7" elementType="O" x2="6598.0" y2="-4935.0" formalCharge="-1"/> <atom id="CPD-11700-atom8" elementType="O" x2="7444.0" y2="-4120.0" formalCharge="-1"/> <atom id="CPD-11700-atom9" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="CPD-11700-atom10" elementType="O" x2="7292.0" y2="-1784.0" formalCharge="-1"/> <atom id="CPD-11700-atom11" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="CPD-11700-atom12" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="CPD-11700-atom13" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-11700-atom14" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-11700-atom15" elementType="O" x2="2563.0" y2="-5269.0" formalCharge="-1"/> <atom id="CPD-11700-atom16" elementType="O" x2="1834.0" y2="-3789.0" formalCharge="-1"/> <atom id="CPD-11700-atom17" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-11700-atom18" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="CPD-11700-atom19" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="CPD-11700-atom20" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-11700-atom21" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-11700-atom22" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-11700-atom23" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-11700-atom24" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-11700-atom25" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-11700-atom26" elementType="C…

CHEBI CHEBI:16715
structure data: InChI%3D1S%2FC6H10O5%2Fc7-1-4-6%2810%295%289%293%288%292-11-4%2Fh4-7%2C9-10H%2C1-2H2%2Ft4%3F%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure136953
structure data: <atom id="CROTONYL-COA-atom1" elementType="O" x2="-5687.0" y2="15035.0"/> <atom id="CROTONYL-COA-atom2" elementType="O" x2="-31409.0" y2="22754.0"/> <atom id="CROTONYL-COA-atom3" elementType="C" x2="1135.0" y2="19969.0"/> <atom id="CROTONYL-COA-atom4" elementType="C" x2="-1363.0" y2="27719.0"/> <atom id="CROTONYL-COA-atom5" elementType="C" x2="-9783.0" y2="27719.0"/> <atom id="CROTONYL-COA-atom6" elementType="C" x2="-12402.0" y2="19848.0"/> <atom id="CROTONYL-COA-atom7" elementType="C" x2="-20127.0" y2="17419.0"/> <atom id="CROTONYL-COA-atom8" elementType="P" x2="-44571.0" y2="22904.0"/> <atom id="CROTONYL-COA-atom9" elementType="O" x2="-44512.0" y2="13464.0" formalCharge="-1"/> <atom id="CROTONYL-COA-atom10" elementType="O" x2="-52867.0" y2="22762.0"/> <atom id="CROTONYL-COA-atom11" elementType="O" x2="-44628.0" y2="40869.0"/> <atom id="CROTONYL-COA-atom12" elementType="O" x2="-36031.0" y2="57017.0"/> <atom id="CROTONYL-COA-atom13" elementType="P" x2="-44617.0" y2="57186.0"/> <atom id="CROTONYL-COA-atom14" elementType="O" x2="-52912.0" y2="57044.0"/> <atom id="CROTONYL-COA-atom15" elementType="O" x2="-44537.0" y2="65299.0" formalCharge="-1"/> <atom id="CROTONYL-COA-atom16" elementType="C" x2="-28915.0" y2="52907.0"/> <atom id="CROTONYL-COA-atom17" elementType="C" x2="-21771.0" y2="57031.0"/> <atom id="CROTONYL-COA-atom18" elementType="C" x2="-14626.0" y2="52905.0"/> <atom id="CROTONYL-COA-atom19" elementType="C" x2="-21768.0" y2="65281.0"/> <atom id="CROTONYL-COA-atom20" elementType="C" x2="-21853.0" y2="47908.0"/> <atom id="CROTONYL-COA-atom21" elementType="C" x2="-7481.0" y2="57029.0"/> <atom id="CROTONYL-COA-atom22" elementType="O" x2="-14627.0" y2="44655.0"/> <atom id="CROTONYL-COA-atom23" elementType="O" x2="-7480.0" y2="65279.0"/> <atom id="CROTONYL-COA-atom24" elementType="N" x2="-338.0" y2="52903.0"/> <atom id="CROTONYL-COA-atom25" elementType="C" x2="6808.0" y2="57027.0"/> <atom id="CROTONYL-COA-atom26" elementType="C" x2="13952.0" y2="52901.0"/> <atom id=…

biopax-level3ChemicalStructure143012
structure data: <atom id="N-acetyl-beta-D-hexosamines-atom1" elementType="C" x2="5668.0" y2="-22875.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom2" elementType="C" x2="5668.0" y2="-14625.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom3" elementType="C" x2="12812.0" y2="-10500.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom4" elementType="C" x2="19957.0" y2="-14625.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom5" elementType="C" x2="19957.0" y2="-22875.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom6" elementType="O" x2="12812.0" y2="-27000.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom7" elementType="C" x2="-1477.0" y2="-27000.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom8" elementType="C" x2="34247.0" y2="-14625.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom9" elementType="C" x2="34247.0" y2="-22875.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom10" elementType="N" x2="27102.0" y2="-10500.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom11" elementType="O" x2="41391.0" y2="-10500.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom12" elementType="O" x2="27102.0" y2="-27000.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom13" elementType="O" x2="12812.0" y2="-2250.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom14" elementType="O" x2="-1477.0" y2="-10500.0"/> <atom id="N-acetyl-beta-D-hexosamines-atom15" elementType="O" x2="-1477.0" y2="-35250.0"/> <bond id="N-acetyl-beta-D-hexosamines-bond1" atomRefs="N-acetyl-beta-D-hexosamines-atom8 N-acetyl-beta-D-hexosamines-atom9" order="1"/> <bond id="N-acetyl-beta-D-hexosamines-bond2" atomRefs="N-acetyl-beta-D-hexosamines-atom8 N-acetyl-beta-D-hexosamines-atom11" order="2"/> <bond id="N-acetyl-beta-D-hexosamines-bond3" atomRefs="N-acetyl-beta-D-hexosamines-atom10 N-acetyl-beta-D-hexosamines-atom8" order="1"/> <bond id="N-acetyl-beta-D-hexosamines-bond4" atomRefs="N-acetyl-beta-D-hexosamines-atom2 N-acetyl-beta-D-hexosamines-atom14" order="1"/> <bond id="N-acetyl-beta-D-hexosamines-bond5" atomRefs="N-acetyl-beta-D-hexosamines-atom3 N-acetyl-be…

biopax-level3ChemicalStructure164672
structure data: <cml> <molecule id="Catechols" title="a catechol" formalCharge="0" dictRef="dictCatechols"> <atomArray> <atom id="Catechols-atom1" elementType="C" x2="-722200.0" y2="-655500.0"/> <atom id="Catechols-atom2" elementType="C" x2="709600.0" y2="161600.0"/> <atom id="Catechols-atom3" elementType="C" x2="-900.0" y2="580900.0"/> <atom id="Catechols-atom4" elementType="O" x2="1423800.0" y2="-1071200.0"/> <atom id="Catechols-atom5" elementType="C" x2="709600.0" y2="-655500.0"/> <atom id="Catechols-atom6" elementType="C" x2="-722200.0" y2="161600.0"/> <atom id="Catechols-atom7" elementType="C" x2="-900.0" y2="-1074800.0"/> <atom id="Catechols-atom8" elementType="O" x2="-900.0" y2="-1899800.0"/> <atom id="Catechols-atom9" elementType="R1" x2="1424100.0" y2="574100.0"/> <atom id="Catechols-atom10" elementType="R2" x2="-900.0" y2="1405900.0"/> <atom id="Catechols-atom11" elementType="R3" x2="-1436700.0" y2="574100.0"/> <atom id="Catechols-atom12" elementType="R4" x2="-1436700.0" y2="-1068000.0"/> </atomArray> <bondArray> <bond id="Catechols-bond1" atomRefs="Catechols-atom7 Catechols-atom8" order="1"/> <bond id="Catechols-bond2" atomRefs="Catechols-atom6 Catechols-atom1" order="2"/> <bond id="Catechols-bond3" atomRefs="Catechols-atom2 Catechols-atom3" order="2"/> <bond id="Catechols-bond4" atomRefs="Catechols-atom4 Catechols-atom5" order="1"/> <bond id="Catechols-bond5" atomRefs="Catechols-atom5 Catechols-atom2" order="1"/> <bond id="Catechols-bond6" atomRefs="Catechols-atom3 Catechols-atom6" order="1"/> <bond id="Catechols-bond7" atomRefs="Catechols-atom7 Catechols-atom5" order="2"/> <bond id="Catechols-bond8" atomRefs="Catechols-atom1 Catechols-atom7" order="1"/> <bond id="Catechols-bond9" atomRefs="Catechols-atom2 Catechols-atom9" order="1"/> <bond id="Catechols-bond10" atomRefs="Catechols-atom3 Catechols-atom10" order="1"/> <bond id="Catechols-bond11" atomRefs="Catechols-atom6 Catechols-atom11" order="1"/> <bond id="Catechols-bond12" atomRefs="Catechols-atom1 Catechols-atom12"…

biopax-level3ChemicalStructure145367
structure data: <atom id="CPD1G-1346-atom1" elementType="C" x2="-47070.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom2" elementType="C" x2="-39925.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom3" elementType="C" x2="-32780.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom4" elementType="C" x2="-25635.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom5" elementType="C" x2="-18491.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom6" elementType="C" x2="-11346.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom7" elementType="C" x2="-4201.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom8" elementType="C" x2="2943.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom9" elementType="C" x2="10088.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom10" elementType="C" x2="17233.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom11" elementType="C" x2="24378.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom12" elementType="C" x2="31522.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom13" elementType="C" x2="38667.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom14" elementType="C" x2="45812.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom15" elementType="C" x2="52956.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom16" elementType="C" x2="60101.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom17" elementType="C" x2="67246.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom18" elementType="C" x2="81535.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom19" elementType="C" x2="88680.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom20" elementType="C" x2="95825.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom21" elementType="C" x2="102969.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom22" elementType="C" x2="110114.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom23" elementType="C" x2="117259.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom24" elementType="C" x2="124403.0" y2="-17384.0"/> <atom id="CPD1G-1346-atom25" elementType="C" x2="131548.0" y2="-13259.0"/> <atom id="CPD1G-1346-atom26" elementType="C" x2="146140.0" y2="-15823.0"/> <atom id="CPD1G-1346-atom27" elementType="C" x2="166977.0" y2="-21509.0"/>…

CHEBI CHEBI:28183
structure data: InChI%3D1S%2FC21H22O11%2Fc22-7-14-16%2827%2917%2828%2918%2829%2921%2831-14%2932-20-15%2826%2910-3-2-9%2823%296-13%2810%2930-19%2820%298-1-4-11%2824%2912%2825%295-8%2Fh1-6%2C14%2C16-25%2C27-29H%2C7H2%2Ft14-%2C16%2B%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm1%2Fs1

CHEBI CHEBI:16244
structure data: InChI%3D1S%2FC7H15NO2%2Fc1-8%282%2C3%296-4-5-7%289%2910%2Fh4-6H2%2C1-3H3

CHEBI CHEBI:45475
structure data: InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3%2Ft4-%2Fm0%2Fs1

biopax-level3ChemicalStructure147343
structure data: <atom id="CPD-6702-atom1" elementType="O" x2="5795.0" y2="-4126.0"/> <atom id="CPD-6702-atom2" elementType="O" x2="5795.0" y2="-2476.0"/> <atom id="CPD-6702-atom3" elementType="O" x2="4366.0" y2="-4951.0"/> <atom id="CPD-6702-atom4" elementType="O" x2="4366.0" y2="-1650.0"/> <atom id="CPD-6702-atom5" elementType="O" x2="2937.0" y2="-4126.0"/> <atom id="CPD-6702-atom6" elementType="O" x2="2937.0" y2="-2476.0"/> <atom id="CPD-6702-atom7" elementType="C" x2="5081.0" y2="-3713.0"/> <atom id="CPD-6702-atom8" elementType="C" x2="5081.0" y2="-2889.0"/> <atom id="CPD-6702-atom9" elementType="C" x2="4366.0" y2="-4126.0"/> <atom id="CPD-6702-atom10" elementType="C" x2="4366.0" y2="-2476.0"/> <atom id="CPD-6702-atom11" elementType="C" x2="3652.0" y2="-3713.0"/> <atom id="CPD-6702-atom12" elementType="C" x2="3652.0" y2="-2889.0"/> <atom id="CPD-6702-atom13" elementType="P" x2="6509.0" y2="-4539.0"/> <atom id="CPD-6702-atom14" elementType="O" x2="7224.0" y2="-4951.0" formalCharge="-1"/> <atom id="CPD-6702-atom15" elementType="O" x2="6097.0" y2="-5253.0"/> <atom id="CPD-6702-atom16" elementType="O" x2="6922.0" y2="-3824.0" formalCharge="-1"/> <bond id="CPD-6702-bond1" atomRefs="CPD-6702-atom11 CPD-6702-atom12" order="1"/> <bond id="CPD-6702-bond2" atomRefs="CPD-6702-atom10 CPD-6702-atom12" order="1"/> <bond id="CPD-6702-bond3" atomRefs="CPD-6702-atom9 CPD-6702-atom11" order="1"/> <bond id="CPD-6702-bond4" atomRefs="CPD-6702-atom8 CPD-6702-atom10" order="1"/> <bond id="CPD-6702-bond5" atomRefs="CPD-6702-atom7 CPD-6702-atom9" order="1"/> <bond id="CPD-6702-bond6" atomRefs="CPD-6702-atom7 CPD-6702-atom8" order="1"/> <bond id="CPD-6702-bond7" atomRefs="CPD-6702-atom12 CPD-6702-atom6" order="1"/> <bond id="CPD-6702-bond8" atomRefs="CPD-6702-atom11 CPD-6702-atom5" order="1"/> <bond id="CPD-6702-bond9" atomRefs="CPD-6702-atom10 CPD-6702-atom4" order="1"/> <bond id="CPD-6702-bond10" atomRefs="CPD-6702-atom9 CPD-6702-atom3" order="1"/> <bond id="CPD-6702-bond11" atomRefs="CPD-6702-atom8 C…

CHEBI CHEBI:16011
structure data: InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3

CHEBI CHEBI:27638
structure data: InChI%3D1S%2FCo

biopax-level3ChemicalStructure137898
structure data: <atom id="FRU1P-atom1" elementType="O" x2="6042.0" y2="-2938.0"/> <atom id="FRU1P-atom2" elementType="O" x2="2376.0" y2="0.0"/> <atom id="FRU1P-atom3" elementType="O" x2="4170.0" y2="0.0"/> <atom id="FRU1P-atom4" elementType="O" x2="4726.0" y2="-1707.0"/> <atom id="FRU1P-atom5" elementType="O" x2="4473.0" y2="-3448.0" formalCharge="-1"/> <atom id="FRU1P-atom6" elementType="O" x2="5473.0" y2="-3990.0" formalCharge="-1"/> <atom id="FRU1P-atom7" elementType="C" x2="1821.0" y2="-1707.0"/> <atom id="FRU1P-atom8" elementType="C" x2="4196.0" y2="-2237.0"/> <atom id="FRU1P-atom9" elementType="O" x2="1649.0" y2="-2514.0"/> <atom id="FRU1P-atom10" elementType="O" x2="5002.0" y2="-2408.0"/> <atom id="FRU1P-atom11" elementType="O" x2="3273.0" y2="-1937.0"/> <atom id="FRU1P-atom12" elementType="C" x2="2860.0" y2="-668.0"/> <atom id="FRU1P-atom13" elementType="C" x2="2606.0" y2="-1452.0"/> <atom id="FRU1P-atom14" elementType="C" x2="3685.0" y2="-668.0"/> <atom id="FRU1P-atom15" elementType="C" x2="3941.0" y2="-1452.0"/> <atom id="FRU1P-atom16" elementType="P" x2="5258.0" y2="-3193.0"/> <bond id="FRU1P-bond1" atomRefs="FRU1P-atom14 FRU1P-atom15" order="1"/> <bond id="FRU1P-bond2" atomRefs="FRU1P-atom12 FRU1P-atom14" order="1"/> <bond id="FRU1P-bond3" atomRefs="FRU1P-atom12 FRU1P-atom13" order="1"/> <bond id="FRU1P-bond4" atomRefs="FRU1P-atom11 FRU1P-atom15" order="1"/> <bond id="FRU1P-bond5" atomRefs="FRU1P-atom11 FRU1P-atom13" order="1"/> <bond id="FRU1P-bond6" atomRefs="FRU1P-atom10 FRU1P-atom16" order="1"/> <bond id="FRU1P-bond7" atomRefs="FRU1P-atom15 FRU1P-atom8" order="1"/> <bond id="FRU1P-bond8" atomRefs="FRU1P-atom8 FRU1P-atom10" order="1"/> <bond id="FRU1P-bond9" atomRefs="FRU1P-atom13 FRU1P-atom7" order="1"/> <bond id="FRU1P-bond10" atomRefs="FRU1P-atom7 FRU1P-atom9" order="1"/> <bond id="FRU1P-bond11" atomRefs="FRU1P-atom6 FRU1P-atom16" order="1"/> <bond id="FRU1P-bond12" atomRefs="FRU1P-atom5 FRU1P-atom16" order="1"/> <bond id="FRU1P-bond13" atomRefs="FRU1P-atom15 FRU1…

biopax-level3ChemicalStructure144034
structure data: <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom1" elementType="C" x2="5951.0" y2="-4125.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom2" elementType="C" x2="3793.0" y2="-2888.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom3" elementType="O" x2="6980.0" y2="-4338.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom4" elementType="O" x2="0.0" y2="-825.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom5" elementType="O" x2="833.0" y2="0.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom6" elementType="O" x2="832.0" y2="-1650.0" formalCharge="-1"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom7" elementType="C" x2="7206.0" y2="-2888.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom8" elementType="C" x2="2364.0" y2="-2062.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom9" elementType="C" x2="4508.0" y2="-825.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom10" elementType="C" x2="6721.0" y2="-2220.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom11" elementType="C" x2="5222.0" y2="-1238.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom12" elementType="C" x2="4508.0" y2="-3300.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom13" elementType="C" x2="5222.0" y2="-3712.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom14" elementType="C" x2="3079.0" y2="-2475.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom15" elementType="C" x2="3079.0" y2="-825.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom16" elementType="O" x2="1650.0" y2="-825.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom17" elementType="C" x2="6721.0" y2="-3555.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom18" elementType="C" x2="2364.0" y2="-1238.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom19" elementType="C" x2="3793.0" y2="-1238.0"/> <atom id="BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT-atom20" element…

CHEBI CHEBI:31011
structure data: InChI%3D1S%2FC5H10O2%2Fc1-2-3-4-5%286%297%2Fh2-4H2%2C1H3%2C%28H%2C6%2C7%29%2Fp-1

CHEBI CHEBI:57397
structure data: InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh12-13%2C15-17%2C19%2C21%2C23H%2C2-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fp-1%2Fb13-12%2B%2Ft15-%2C16%2B%2C17%2B%2C19%2B%2Fm0%2Fs1

CHEBI CHEBI:32416
structure data: InChI%3D1S%2FC18H28O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh3-10H%2C2%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb4-3%2B%2C6-5%2B%2C8-7%2B%2C10-9%2B

CHEBI CHEBI:31035
structure data: InChI%3D1S%2FC15H16O3%2Fc1-15%2818%2C12-4-8-14%2817%299-5-12%2910-11-2-6-13%2816%297-3-11%2Fh2-9%2C16-18H%2C10H2%2C1H3

biopax-level3ChemicalStructure137620
structure data: <atom id="CPD-650-atom1" elementType="O" x2="1645000.0" y2="953600.0"/> <atom id="CPD-650-atom2" elementType="O" x2="-927200.0" y2="1725400.0"/> <atom id="CPD-650-atom3" elementType="C" x2="2327200.0" y2="1446900.0"/> <atom id="CPD-650-atom4" elementType="C" x2="2077400.0" y2="2221900.0"/> <atom id="CPD-650-atom5" elementType="C" x2="1235400.0" y2="2221900.0"/> <atom id="CPD-650-atom6" elementType="C" x2="973500.0" y2="1434800.0"/> <atom id="CPD-650-atom7" elementType="C" x2="201000.0" y2="1191900.0"/> <atom id="CPD-650-atom8" elementType="P" x2="-2243400.0" y2="1740400.0"/> <atom id="CPD-650-atom9" elementType="O" x2="-2255900.0" y2="933900.0" formalCharge="-1"/> <atom id="CPD-650-atom10" elementType="O" x2="-3073000.0" y2="1726200.0"/> <atom id="CPD-650-atom11" elementType="O" x2="-2249100.0" y2="3537000.0"/> <atom id="CPD-650-atom12" elementType="O" x2="-1389400.0" y2="5151700.0"/> <atom id="CPD-650-atom13" elementType="P" x2="-2243400.0" y2="5141200.0"/> <atom id="CPD-650-atom14" elementType="O" x2="-3077500.0" y2="5154500.0"/> <atom id="CPD-650-atom15" elementType="O" x2="-2240000.0" y2="5979900.0" formalCharge="-1"/> <atom id="CPD-650-atom16" elementType="C" x2="-677800.0" y2="4740800.0"/> <atom id="CPD-650-atom17" elementType="C" x2="36600.0" y2="5153100.0"/> <atom id="CPD-650-atom18" elementType="C" x2="751100.0" y2="4740500.0"/> <atom id="CPD-650-atom19" elementType="C" x2="36800.0" y2="5978100.0"/> <atom id="CPD-650-atom20" elementType="C" x2="28400.0" y2="4240800.0"/> <atom id="CPD-650-atom21" elementType="C" x2="1465600.0" y2="5152900.0"/> <atom id="CPD-650-atom22" elementType="O" x2="750900.0" y2="3915600.0"/> <atom id="CPD-650-atom23" elementType="O" x2="1465700.0" y2="5977900.0"/> <atom id="CPD-650-atom24" elementType="N" x2="2179900.0" y2="4740300.0"/> <atom id="CPD-650-atom25" elementType="C" x2="2894500.0" y2="5152700.0"/> <atom id="CPD-650-atom26" elementType="C" x2="3608900.0" y2="4740100.0"/> <atom id="CPD-650-atom27" elementType="C" x2="4323400…

CHEBI CHEBI:17158
structure data: InChI%3D1S%2FC3H4O2%2Fc1-3%285%292-4%2Fh2H%2C1H3

biopax-level3ChemicalStructure132276
structure data: <cml> <molecule id="METHYLENE-THF-GLU-N" title="a 5,10-methylene-tetrahydrofolate" formalCharge="0" dictRef="dictMETHYLENE-THF-GLU-N"> <atomArray> <atom id="METHYLENE-THF-GLU-N-atom1" elementType="C" x2="-446970.0" y2="115810.0"/> <atom id="METHYLENE-THF-GLU-N-atom2" elementType="O" x2="142480.0" y2="-272140.0"/> <atom id="METHYLENE-THF-GLU-N-atom3" elementType="C" x2="-570710.0" y2="44370.0"/> <atom id="METHYLENE-THF-GLU-N-atom4" elementType="C" x2="-214760.0" y2="16610.0"/> <atom id="METHYLENE-THF-GLU-N-atom5" elementType="C" x2="-71860.0" y2="-148390.0"/> <atom id="METHYLENE-THF-GLU-N-atom6" elementType="C" x2="-488220.0" y2="187260.0"/> <atom id="METHYLENE-THF-GLU-N-atom7" elementType="C" x2="-214760.0" y2="-148390.0"/> <atom id="METHYLENE-THF-GLU-N-atom8" elementType="O" x2="-71860.0" y2="-230890.0"/> <atom id="METHYLENE-THF-GLU-N-atom9" elementType="C" x2="71030.0" y2="-230890.0"/> <atom id="METHYLENE-THF-GLU-N-atom10" elementType="N" x2="-694460.0" y2="-27080.0"/> <atom id="METHYLENE-THF-GLU-N-atom11" elementType="C" x2="-366270.0" y2="98660.0"/> <atom id="METHYLENE-THF-GLU-N-atom12" elementType="H" x2="-398480.0" y2="182560.0"/> <atom id="METHYLENE-THF-GLU-N-atom13" elementType="C" x2="-143310.0" y2="-24640.0"/> <atom id="METHYLENE-THF-GLU-N-atom14" elementType="C" x2="285370.0" y2="-107140.0"/> <atom id="METHYLENE-THF-GLU-N-atom15" elementType="O" x2="-570710.0" y2="-98530.0"/> <atom id="METHYLENE-THF-GLU-N-atom16" elementType="N" x2="-488220.0" y2="44370.0"/> <atom id="METHYLENE-THF-GLU-N-atom17" elementType="C" x2="-433020.0" y2="-16940.0"/> <atom id="METHYLENE-THF-GLU-N-atom18" elementType="O" x2="-410.0" y2="-272140.0"/> <atom id="METHYLENE-THF-GLU-N-atom19" elementType="C" x2="-611960.0" y2="115810.0"/> <atom id="METHYLENE-THF-GLU-N-atom20" elementType="N" x2="-818210.0" y2="44370.0"/> <atom id="METHYLENE-THF-GLU-N-atom21" elementType="N" x2="-570710.0" y2="187260.0"/> <atom id="METHYLENE-THF-GLU-N-atom22" elementType="N" x2="-357650.0" y2="16610.0"/> …

CHEBI CHEBI:62431
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7%3F

CHEBI CHEBI:17242
structure data: InChI%3D1S%2FC6H6O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-8H%2C1H2

CHEBI CHEBI:17336
structure data: InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3%2Fb9-6%2B%2C12-11%2B%2C16-8%2B%2C17-13%2B

biopax-level3ChemicalStructure174285
structure data: <atom id="FORMYL-ISOGLUTAMINE-atom1" elementType="N" x2="4312.0" y2="-1253.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom2" elementType="O" x2="3582.0" y2="0.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom3" elementType="O" x2="730.0" y2="0.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom4" elementType="O" x2="0.0" y2="-1253.0" formalCharge="-1"/> <atom id="FORMYL-ISOGLUTAMINE-atom5" elementType="C" x2="3582.0" y2="-835.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom6" elementType="C" x2="730.0" y2="-835.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom7" elementType="C" x2="1437.0" y2="-1246.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom8" elementType="C" x2="2152.0" y2="-835.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom9" elementType="C" x2="2866.0" y2="-1247.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom10" elementType="N" x2="2866.0" y2="-2073.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom11" elementType="C" x2="2152.0" y2="-2484.0"/> <atom id="FORMYL-ISOGLUTAMINE-atom12" elementType="O" x2="1438.0" y2="-2073.0"/> <bond id="FORMYL-ISOGLUTAMINE-bond1" atomRefs="FORMYL-ISOGLUTAMINE-atom11 FORMYL-ISOGLUTAMINE-atom12" order="2"/> <bond id="FORMYL-ISOGLUTAMINE-bond2" atomRefs="FORMYL-ISOGLUTAMINE-atom10 FORMYL-ISOGLUTAMINE-atom11" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond3" atomRefs="FORMYL-ISOGLUTAMINE-atom9 FORMYL-ISOGLUTAMINE-atom10" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond4" atomRefs="FORMYL-ISOGLUTAMINE-atom9 FORMYL-ISOGLUTAMINE-atom5" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond5" atomRefs="FORMYL-ISOGLUTAMINE-atom8 FORMYL-ISOGLUTAMINE-atom9" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond6" atomRefs="FORMYL-ISOGLUTAMINE-atom6 FORMYL-ISOGLUTAMINE-atom7" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond7" atomRefs="FORMYL-ISOGLUTAMINE-atom7 FORMYL-ISOGLUTAMINE-atom8" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond8" atomRefs="FORMYL-ISOGLUTAMINE-atom4 FORMYL-ISOGLUTAMINE-atom6" order="1"/> <bond id="FORMYL-ISOGLUTAMINE-bond9" atomRefs="FORMYL-ISOGLUTAMINE-atom3 FORMYL-ISOGLUTAMINE-atom6" order="2"/> <bond id="FORMYL-ISOGL…

CHEBI CHEBI:60475
structure data: InChI%3D1S%2FC42H80NO8P%2Fc1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42%2845%2951-40%2839-50-52%2846%2C47%2949-37-36-43%283%2C4%295%2938-48-41%2844%2934-32-30-28-26-24-22-19-17-15-13-11-9-7-2%2Fh14%2C16%2C20-21%2C40H%2C6-13%2C15%2C17-19%2C22-39H2%2C1-5H3%2Fp%2B1%2Fb16-14-%2C21-20-%2Ft40-%2Fm1%2Fs1%2Fi42%2B2

CHEBI CHEBI:46903
structure data: InChI%3D1S%2FC45H76O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43%2846%2947-38-30-32-44%285%2937%2834-38%2926-27-39-41-29-28-40%2836%284%2924-22-23-35%282%293%2945%2841%2C6%2933-31-42%2839%2944%2Fh11-12%2C14-15%2C26%2C35-36%2C38-42H%2C7-10%2C13%2C16-25%2C27-34H2%2C1-6H3%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C44%2B%2C45-%2Fm1%2Fs1

CHEBI CHEBI:16108
structure data: InChI%3D1S%2FC3H7O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh4H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29

CHEBI CHEBI:32373
structure data: InChI%3D1S%2FC9H8O3%2Fc10-8-4-1-7%282-5-8%293-6-9%2811%2912%2Fh1-6%2C10H%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:15366
structure data: InChI%3D1S%2FC2H4O2%2Fc1-2%283%294%2Fh1H3%2C%28H%2C3%2C4%29

biopax-level3ChemicalStructure143233
structure data: <cml> <molecule id="Alpha-D-Mannosides" title="an alpha-D-mannoside" formalCharge="0"> <atomArray> <atom id="Alpha-D-Mannosides-atom1" elementType="O" x2="-9664.0" y2="-3978.0"/> <atom id="Alpha-D-Mannosides-atom2" elementType="C" x2="-10379.0" y2="-3565.0"/> <atom id="Alpha-D-Mannosides-atom3" elementType="C" x2="-10379.0" y2="-2740.0"/> <atom id="Alpha-D-Mannosides-atom4" elementType="C" x2="-9664.0" y2="-2328.0"/> <atom id="Alpha-D-Mannosides-atom5" elementType="C" x2="-8950.0" y2="-2740.0"/> <atom id="Alpha-D-Mannosides-atom6" elementType="C" x2="-8950.0" y2="-3565.0"/> <atom id="Alpha-D-Mannosides-atom7" elementType="O" x2="-8235.0" y2="-3978.0"/> <atom id="Alpha-D-Mannosides-atom8" elementType="O" x2="-8235.0" y2="-2328.0"/> <atom id="Alpha-D-Mannosides-atom9" elementType="O" x2="-9664.0" y2="-1503.0"/> <atom id="Alpha-D-Mannosides-atom10" elementType="O" x2="-11093.0" y2="-2328.0"/> <atom id="Alpha-D-Mannosides-atom11" elementType="C" x2="-11093.0" y2="-3978.0"/> <atom id="Alpha-D-Mannosides-atom12" elementType="O" x2="-11890.0" y2="-3764.0"/> <atom id="Alpha-D-Mannosides-atom13" elementType="R" x2="-7521.0" y2="-3565.0"/> </atomArray> <bondArray> <bond id="Alpha-D-Mannosides-bond1" atomRefs="Alpha-D-Mannosides-atom1 Alpha-D-Mannosides-atom2" order="1"/> <bond id="Alpha-D-Mannosides-bond2" atomRefs="Alpha-D-Mannosides-atom2 Alpha-D-Mannosides-atom3" order="1"/> <bond id="Alpha-D-Mannosides-bond3" atomRefs="Alpha-D-Mannosides-atom3 Alpha-D-Mannosides-atom4" order="1"/> <bond id="Alpha-D-Mannosides-bond4" atomRefs="Alpha-D-Mannosides-atom4 Alpha-D-Mannosides-atom5" order="1"/> <bond id="Alpha-D-Mannosides-bond5" atomRefs="Alpha-D-Mannosides-atom5 Alpha-D-Mannosides-atom6" order="1"/> <bond id="Alpha-D-Mannosides-bond6" atomRefs="Alpha-D-Mannosides-atom1 Alpha-D-Mannosides-atom6" order="1"/> <bond id="Alpha-D-Mannosides-bond7" atomRefs="Alpha-D-Mannosides-atom6 Alpha-D-Mannosides-atom7" order="1"/> <bond id="Alpha-D-Mannosides-bond8" atomRefs="Alpha-D-Mannosides…

biopax-level3ChemicalStructure144313
structure data: <cml> <molecule id="Heparan-NAc-Glc" title="[heparan sulfate]-N-acetyl-alpha-D-glucosamine" formalCharge="0" dictRef="dictHeparan-NAc-Glc"> <atomArray> <atom id="Heparan-NAc-Glc-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="Heparan-NAc-Glc-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="Heparan-NAc-Glc-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="Heparan-NAc-Glc-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="Heparan-NAc-Glc-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="Heparan-NAc-Glc-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="Heparan-NAc-Glc-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="Heparan-NAc-Glc-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="Heparan-NAc-Glc-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="Heparan-NAc-Glc-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="Heparan-NAc-Glc-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="Heparan-NAc-Glc-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="Heparan-NAc-Glc-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="Heparan-NAc-Glc-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> <atom id="Heparan-NAc-Glc-atom15" elementType="C" x2="-12950.0" y2="15852.0"/> <atom id="Heparan-NAc-Glc-atom16" elementType="O" x2="-20095.0" y2="19977.0"/> <atom id="Heparan-NAc-Glc-atom17" elementType="C" x2="-5805.0" y2="19977.0"/> </atomArray> <bondArray> <bond id="Heparan-NAc-Glc-bond1" atomRefs="Heparan-NAc-Glc-atom1 Heparan-NAc-Glc-atom2" order="1"/> <bond id="Heparan-NAc-Glc-bond2" atomRefs="Heparan-NAc-Glc-atom2 Heparan-NAc-Glc-atom3" order="1"/> <bond id="Heparan-NAc-Glc-bond3" atomRefs="Heparan-NAc-Glc-atom3 Heparan-NAc-Glc-atom4" order="1"/> <bond id="Heparan-NAc-Glc-bond4" atomRefs="Heparan-NAc-Glc-atom4 Heparan-NAc-Glc-atom5" order="1"/> <bond id="Heparan-NAc-Glc-bond5" atomRefs="Heparan-NAc-Glc-atom5 Heparan-NAc-Glc-atom6" o…

biopax-level3ChemicalStructure171912
structure data: <atom id="CPD-4578-atom1" elementType="C" x2="8882.0" y2="-3667.0"/> <atom id="CPD-4578-atom2" elementType="C" x2="7820.0" y2="-2711.0"/> <atom id="CPD-4578-atom3" elementType="C" x2="4805.0" y2="-4992.0"/> <atom id="CPD-4578-atom4" elementType="C" x2="1481.0" y2="0.0"/> <atom id="CPD-4578-atom5" elementType="C" x2="2143.0" y2="-2896.0"/> <atom id="CPD-4578-atom6" elementType="C" x2="4404.0" y2="-4160.0"/> <atom id="CPD-4578-atom7" elementType="O" x2="0.0" y2="-834.0"/> <atom id="CPD-4578-atom8" elementType="C" x2="7523.0" y2="-4109.0"/> <atom id="CPD-4578-atom9" elementType="C" x2="6716.0" y2="-3937.0"/> <atom id="CPD-4578-atom10" elementType="C" x2="3572.0" y2="-1246.0"/> <atom id="CPD-4578-atom11" elementType="C" x2="714.0" y2="-2071.0"/> <atom id="CPD-4578-atom12" elementType="C" x2="2889.0" y2="-3339.0"/> <atom id="CPD-4578-atom13" elementType="C" x2="6164.0" y2="-4550.0"/> <atom id="CPD-4578-atom14" elementType="C" x2="2858.0" y2="-834.0"/> <atom id="CPD-4578-atom15" elementType="C" x2="5102.0" y2="-2259.0"/> <atom id="CPD-4578-atom16" elementType="C" x2="5587.0" y2="-2927.0"/> <atom id="CPD-4578-atom17" elementType="C" x2="1429.0" y2="-2483.0"/> <atom id="CPD-4578-atom18" elementType="C" x2="3604.0" y2="-3752.0"/> <atom id="CPD-4578-atom19" elementType="C" x2="8075.0" y2="-3496.0"/> <atom id="CPD-4578-atom20" elementType="C" x2="714.0" y2="-1246.0"/> <atom id="CPD-4578-atom21" elementType="C" x2="3604.0" y2="-2102.0"/> <atom id="CPD-4578-atom22" elementType="C" x2="2889.0" y2="-2515.0"/> <atom id="CPD-4578-atom23" elementType="C" x2="5357.0" y2="-4379.0"/> <atom id="CPD-4578-atom24" elementType="C" x2="1429.0" y2="-834.0"/> <atom id="CPD-4578-atom25" elementType="C" x2="4318.0" y2="-2515.0"/> <atom id="CPD-4578-atom26" elementType="C" x2="2143.0" y2="-1246.0"/> <atom id="CPD-4578-atom27" elementType="C" x2="5102.0" y2="-3594.0"/> <atom id="CPD-4578-atom28" elementType="C" x2="2143.0" y2="-2071.0"/> <atom id="CPD-4578-atom29" elementType="C" x2="4318.0" y2="-3…

CHEBI CHEBI:18397
structure data: InChI%3D1S%2FC8H11N%2Fc9-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7%2C9H2

biopax-level3ChemicalStructure169263
structure data: <atom id="CPD-4580-atom1" elementType="C" x2="8881.0" y2="-4061.0"/> <atom id="CPD-4580-atom2" elementType="C" x2="7819.0" y2="-3105.0"/> <atom id="CPD-4580-atom3" elementType="C" x2="4805.0" y2="-5386.0"/> <atom id="CPD-4580-atom4" elementType="C" x2="2143.0" y2="-3290.0"/> <atom id="CPD-4580-atom5" elementType="C" x2="4403.0" y2="-4554.0"/> <atom id="CPD-4580-atom6" elementType="O" x2="2174.0" y2="0.0"/> <atom id="CPD-4580-atom7" elementType="O" x2="0.0" y2="-1228.0"/> <atom id="CPD-4580-atom8" elementType="C" x2="1450.0" y2="-394.0"/> <atom id="CPD-4580-atom9" elementType="C" x2="7522.0" y2="-4503.0"/> <atom id="CPD-4580-atom10" elementType="C" x2="6715.0" y2="-4331.0"/> <atom id="CPD-4580-atom11" elementType="C" x2="3572.0" y2="-1640.0"/> <atom id="CPD-4580-atom12" elementType="C" x2="2889.0" y2="-3733.0"/> <atom id="CPD-4580-atom13" elementType="C" x2="6163.0" y2="-4944.0"/> <atom id="CPD-4580-atom14" elementType="C" x2="2857.0" y2="-1228.0"/> <atom id="CPD-4580-atom15" elementType="C" x2="714.0" y2="-2465.0"/> <atom id="CPD-4580-atom16" elementType="C" x2="5102.0" y2="-2654.0"/> <atom id="CPD-4580-atom17" elementType="C" x2="5586.0" y2="-3321.0"/> <atom id="CPD-4580-atom18" elementType="C" x2="3603.0" y2="-4146.0"/> <atom id="CPD-4580-atom19" elementType="C" x2="1428.0" y2="-2878.0"/> <atom id="CPD-4580-atom20" elementType="C" x2="8074.0" y2="-3890.0"/> <atom id="CPD-4580-atom21" elementType="C" x2="3603.0" y2="-2496.0"/> <atom id="CPD-4580-atom22" elementType="C" x2="2889.0" y2="-2909.0"/> <atom id="CPD-4580-atom23" elementType="C" x2="5357.0" y2="-4773.0"/> <atom id="CPD-4580-atom24" elementType="C" x2="714.0" y2="-1640.0"/> <atom id="CPD-4580-atom25" elementType="C" x2="1428.0" y2="-1228.0"/> <atom id="CPD-4580-atom26" elementType="C" x2="4317.0" y2="-2909.0"/> <atom id="CPD-4580-atom27" elementType="C" x2="5102.0" y2="-3988.0"/> <atom id="CPD-4580-atom28" elementType="C" x2="2143.0" y2="-1640.0"/> <atom id="CPD-4580-atom29" elementType="C" x2="2143.0" y2="…

CHEBI CHEBI:31003
structure data: InChI%3D1S%2FC30H60O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30%2831%2932%2Fh2-29H2%2C1H3%2C%28H%2C31%2C32%29

CHEBI CHEBI:16485
structure data: InChI%3D1S%2FC21H30O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C14-17%2C19%2C22-23%2C25H%2C2-7%2C9-11H2%2C1H3%2Ft14-%2C15-%2C16%2B%2C17-%2C19%2B%2C20-%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure168883
structure data: <cml> <molecule id="Catechloamines" title="a catecholamine" formalCharge="0" dictRef="dictCatechloamines"> <atomArray> <atom id="Catechloamines-atom1" elementType="C" x2="-20920.0" y2="-24161.0"/> <atom id="Catechloamines-atom2" elementType="C" x2="-28064.0" y2="-20036.0"/> <atom id="Catechloamines-atom3" elementType="C" x2="-28064.0" y2="-11786.0"/> <atom id="Catechloamines-atom4" elementType="C" x2="-20920.0" y2="-7661.0"/> <atom id="Catechloamines-atom5" elementType="C" x2="-13775.0" y2="-11786.0"/> <atom id="Catechloamines-atom6" elementType="C" x2="-13775.0" y2="-20036.0"/> <atom id="Catechloamines-atom7" elementType="C" x2="-6630.0" y2="-24161.0"/> <atom id="Catechloamines-atom8" elementType="C" x2="514.0" y2="-20036.0"/> <atom id="Catechloamines-atom9" elementType="N" x2="514.0" y2="-11786.0"/> <atom id="Catechloamines-atom10" elementType="R2" x2="7659.0" y2="-7661.0"/> <atom id="Catechloamines-atom11" elementType="O" x2="-36033.0" y2="-22171.0"/> <atom id="Catechloamines-atom12" elementType="O" x2="-35209.0" y2="-7661.0"/> <atom id="Catechloamines-atom13" elementType="R1" x2="-6630.0" y2="-32411.0"/> </atomArray> <bondArray> <bond id="Catechloamines-bond1" atomRefs="Catechloamines-atom1 Catechloamines-atom2" order="2"/> <bond id="Catechloamines-bond2" atomRefs="Catechloamines-atom2 Catechloamines-atom3" order="1"/> <bond id="Catechloamines-bond3" atomRefs="Catechloamines-atom3 Catechloamines-atom4" order="2"/> <bond id="Catechloamines-bond4" atomRefs="Catechloamines-atom4 Catechloamines-atom5" order="1"/> <bond id="Catechloamines-bond5" atomRefs="Catechloamines-atom5 Catechloamines-atom6" order="2"/> <bond id="Catechloamines-bond6" atomRefs="Catechloamines-atom1 Catechloamines-atom6" order="1"/> <bond id="Catechloamines-bond7" atomRefs="Catechloamines-atom6 Catechloamines-atom7" order="1"/> <bond id="Catechloamines-bond8" atomRefs="Catechloamines-atom7 Catechloamines-atom8" order="1"/> <bond id="Catechloamines-bond9" atomRefs="Catechloamines-atom8 Catechloam…

CHEBI CHEBI:18252
structure data: InChI%3D1S%2FC27H44O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh7%2C19-21%2C23-24%2C28H%2C6%2C8-17H2%2C1-5H3%2Ft19-%2C20%2B%2C21%2B%2C23-%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:64807
structure data: InChI%3D1S%2FC9H15NO3%2Fc10-8%289%2812%2913%295-6-1-3-7%2811%294-2-6%2Fh1%2C3%2C6-8%2C11H%2C2%2C4-5%2C10H2%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure156637
structure data: <atom id="SPERMINE-atom1" elementType="C" x2="2536.0" y2="-4690.0"/> <atom id="SPERMINE-atom2" elementType="C" x2="3972.0" y2="-4690.0"/> <atom id="SPERMINE-atom3" elementType="C" x2="-367.0" y2="-4690.0"/> <atom id="SPERMINE-atom4" elementType="N" x2="-1818.0" y2="-4690.0" formalCharge="1"/> <atom id="SPERMINE-atom5" elementType="C" x2="-3270.0" y2="-4690.0"/> <atom id="SPERMINE-atom6" elementType="N" x2="4690.0" y2="-4284.0" formalCharge="1"/> <atom id="SPERMINE-atom7" elementType="N" x2="1803.0" y2="-4284.0" formalCharge="1"/> <atom id="SPERMINE-atom8" elementType="C" x2="-4004.0" y2="-4284.0"/> <atom id="SPERMINE-atom9" elementType="C" x2="351.0" y2="-4284.0"/> <atom id="SPERMINE-atom10" elementType="C" x2="-2552.0" y2="-4284.0"/> <atom id="SPERMINE-atom11" elementType="N" x2="-4706.0" y2="-4706.0" formalCharge="1"/> <atom id="SPERMINE-atom12" elementType="C" x2="-1100.0" y2="-4284.0"/> <atom id="SPERMINE-atom13" elementType="C" x2="1069.0" y2="-4690.0"/> <atom id="SPERMINE-atom14" elementType="C" x2="3254.0" y2="-4284.0"/> <bond id="SPERMINE-bond1" atomRefs="SPERMINE-atom14 SPERMINE-atom1" order="1"/> <bond id="SPERMINE-bond2" atomRefs="SPERMINE-atom13 SPERMINE-atom9" order="1"/> <bond id="SPERMINE-bond3" atomRefs="SPERMINE-atom12 SPERMINE-atom4" order="1"/> <bond id="SPERMINE-bond4" atomRefs="SPERMINE-atom11 SPERMINE-atom8" order="1"/> <bond id="SPERMINE-bond5" atomRefs="SPERMINE-atom10 SPERMINE-atom4" order="1"/> <bond id="SPERMINE-bond6" atomRefs="SPERMINE-atom9 SPERMINE-atom3" order="1"/> <bond id="SPERMINE-bond7" atomRefs="SPERMINE-atom8 SPERMINE-atom5" order="1"/> <bond id="SPERMINE-bond8" atomRefs="SPERMINE-atom7 SPERMINE-atom13" order="1"/> <bond id="SPERMINE-bond9" atomRefs="SPERMINE-atom6 SPERMINE-atom2" order="1"/> <bond id="SPERMINE-bond10" atomRefs="SPERMINE-atom5 SPERMINE-atom10" order="1"/> <bond id="SPERMINE-bond11" atomRefs="SPERMINE-atom3 SPERMINE-atom12" order="1"/> <bond id="SPERMINE-bond12" atomRefs="SPERMINE-atom2 SPERMINE-atom14" order="1…

biopax-level3ChemicalStructure148520
structure data: <atom id="CPD-10267-atom1" elementType="O" x2="109763.0" y2="-27302.0"/> <atom id="CPD-10267-atom2" elementType="C" x2="146287.0" y2="-12444.0"/> <atom id="CPD-10267-atom3" elementType="C" x2="139101.0" y2="-17196.0"/> <atom id="CPD-10267-atom4" elementType="C" x2="131395.0" y2="-13347.0"/> <atom id="CPD-10267-atom5" elementType="C" x2="124210.0" y2="-18098.0"/> <atom id="CPD-10267-atom6" elementType="C" x2="116504.0" y2="-14249.0"/> <atom id="CPD-10267-atom7" elementType="S" x2="102283.0" y2="-15648.0"/> <atom id="CPD-10267-atom8" elementType="C" x2="109796.0" y2="-19054.0"/> <atom id="CPD-10267-atom9" elementType="C" x2="49736.0" y2="32083.0"/> <atom id="CPD-10267-atom10" elementType="O" x2="17700.0" y2="13124.0" formalCharge="-1"/> <atom id="CPD-10267-atom11" elementType="O" x2="52229.0" y2="46570.0"/> <atom id="CPD-10267-atom12" elementType="O" x2="31301.0" y2="-1820.0" formalCharge="-1"/> <atom id="CPD-10267-atom13" elementType="N" x2="57547.0" y2="29429.0"/> <atom id="CPD-10267-atom14" elementType="N" x2="65257.0" y2="42380.0"/> <atom id="CPD-10267-atom15" elementType="O" x2="20856.0" y2="24630.0"/> <atom id="CPD-10267-atom16" elementType="N" x2="68240.0" y2="21440.0"/> <atom id="CPD-10267-atom17" elementType="N" x2="52277.0" y2="-19846.0"/> <atom id="CPD-10267-atom18" elementType="O" x2="26061.0" y2="55087.0" formalCharge="-1"/> <atom id="CPD-10267-atom19" elementType="O" x2="28814.0" y2="9578.0"/> <atom id="CPD-10267-atom20" elementType="C" x2="39042.0" y2="40071.0"/> <atom id="CPD-10267-atom21" elementType="C" x2="30837.0" y2="-15752.0"/> <atom id="CPD-10267-atom22" elementType="C" x2="64285.0" y2="34188.0"/> <atom id="CPD-10267-atom23" elementType="P" x2="25031.0" y2="16910.0"/> <atom id="CPD-10267-atom24" elementType="C" x2="72837.0" y2="45635.0"/> <atom id="CPD-10267-atom25" elementType="O" x2="42997.0" y2="27323.0"/> <atom id="CPD-10267-atom26" elementType="O" x2="42560.0" y2="55032.0"/> <atom id="CPD-10267-atom27" elementType="O" x2="34337.0" y2="63309…

CHEBI CHEBI:350546
structure data: InChI%3D1S%2FC10H12N2O%2Fc11-4-3-7-6-12-10-2-1-8%2813%295-9%287%2910%2Fh1-2%2C5-6%2C12-13H%2C3-4%2C11H2%2Fp%2B1

biopax-level3ChemicalStructure142953
structure data: <atom id="MALTOPENTAOSE-atom1" elementType="C" x2="-12770.0" y2="-17563.0"/> <atom id="MALTOPENTAOSE-atom2" elementType="C" x2="-12770.0" y2="-9312.0"/> <atom id="MALTOPENTAOSE-atom3" elementType="C" x2="-5625.0" y2="-5187.0"/> <atom id="MALTOPENTAOSE-atom4" elementType="C" x2="1520.0" y2="-9312.0"/> <atom id="MALTOPENTAOSE-atom5" elementType="C" x2="1520.0" y2="-17563.0"/> <atom id="MALTOPENTAOSE-atom6" elementType="C" x2="-19914.0" y2="-21688.0"/> <atom id="MALTOPENTAOSE-atom7" elementType="O" x2="-5625.0" y2="-21688.0"/> <atom id="MALTOPENTAOSE-atom8" elementType="O" x2="-19914.0" y2="-29938.0"/> <atom id="MALTOPENTAOSE-atom9" elementType="O" x2="-5625.0" y2="3063.0"/> <atom id="MALTOPENTAOSE-atom10" elementType="O" x2="8664.0" y2="-5187.0"/> <atom id="MALTOPENTAOSE-atom11" elementType="O" x2="-19914.0" y2="-5187.0"/> <atom id="MALTOPENTAOSE-atom12" elementType="C" x2="-41347.0" y2="-1062.0"/> <atom id="MALTOPENTAOSE-atom13" elementType="C" x2="-41347.0" y2="7189.0"/> <atom id="MALTOPENTAOSE-atom14" elementType="C" x2="-34203.0" y2="11313.0"/> <atom id="MALTOPENTAOSE-atom15" elementType="C" x2="-27058.0" y2="7189.0"/> <atom id="MALTOPENTAOSE-atom16" elementType="C" x2="-27058.0" y2="-1062.0"/> <atom id="MALTOPENTAOSE-atom17" elementType="C" x2="-48491.0" y2="-5187.0"/> <atom id="MALTOPENTAOSE-atom18" elementType="O" x2="-34203.0" y2="-5187.0"/> <atom id="MALTOPENTAOSE-atom19" elementType="O" x2="-48491.0" y2="-13437.0"/> <atom id="MALTOPENTAOSE-atom20" elementType="O" x2="-34203.0" y2="19563.0"/> <atom id="MALTOPENTAOSE-atom21" elementType="O" x2="-19914.0" y2="11313.0"/> <atom id="MALTOPENTAOSE-atom22" elementType="O" x2="-48491.0" y2="11313.0"/> <atom id="MALTOPENTAOSE-atom23" elementType="C" x2="-69924.0" y2="15438.0"/> <atom id="MALTOPENTAOSE-atom24" elementType="C" x2="-69924.0" y2="23689.0"/> <atom id="MALTOPENTAOSE-atom25" elementType="C" x2="-62780.0" y2="27814.0"/> <atom id="MALTOPENTAOSE-atom26" elementType="C" x2="-55635.0" y2="23689.0"/> <atom id="MAL…

CHEBI CHEBI:15354
structure data: InChI%3D1S%2FC5H14NO%2Fc1-6%282%2C3%294-5-7%2Fh7H%2C4-5H2%2C1-3H3%2Fq%2B1

CHEBI CHEBI:63691
structure data: InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B

biopax-level3ChemicalStructure143077
structure data: 4)-beta-D-xylan oligosaccharide" formalCharge="0"> <atom id="1-4-D-xylooligosaccharides-atom1" elementType="O" x2="-1462900.0" y2="2474600.0"/> <atom id="1-4-D-xylooligosaccharides-atom2" elementType="C" x2="-740100.0" y2="2076800.0"/> <atom id="1-4-D-xylooligosaccharides-atom3" elementType="C" x2="-723300.0" y2="1252000.0"/> <atom id="1-4-D-xylooligosaccharides-atom4" elementType="C" x2="705300.0" y2="1281100.0"/> <atom id="1-4-D-xylooligosaccharides-atom5" elementType="C" x2="688500.0" y2="2106100.0"/> <atom id="1-4-D-xylooligosaccharides-atom6" elementType="O" x2="-500.0" y2="854100.0"/> <atom id="1-4-D-xylooligosaccharides-atom7" elementType="C" x2="-34200.0" y2="2503800.0"/> <atom id="1-4-D-xylooligosaccharides-atom8" elementType="O" x2="1394300.0" y2="2533000.0"/> <atom id="1-4-D-xylooligosaccharides-atom9" elementType="O" x2="-51200.0" y2="3328500.0"/> <atom id="1-4-D-xylooligosaccharides-atom10" elementType="O" x2="1419800.0" y2="868600.0"/> <atom id="1-4-D-xylooligosaccharides-atom11" elementType="C" x2="-3622700.0" y2="1266400.0"/> <atom id="1-4-D-xylooligosaccharides-atom12" elementType="C" x2="-3605900.0" y2="2091200.0"/> <atom id="1-4-D-xylooligosaccharides-atom13" elementType="O" x2="-4345500.0" y2="868600.0"/> <atom id="1-4-D-xylooligosaccharides-atom14" elementType="C" x2="-2177300.0" y2="2062100.0"/> <atom id="1-4-D-xylooligosaccharides-atom15" elementType="C" x2="-2194100.0" y2="1237100.0"/> <atom id="1-4-D-xylooligosaccharides-atom16" elementType="O" x2="-2883100.0" y2="2489100.0"/> <atom id="1-4-D-xylooligosaccharides-atom17" elementType="C" x2="-2916800.0" y2="839400.0"/> <atom id="1-4-D-xylooligosaccharides-atom18" elementType="O" x2="-1488400.0" y2="810200.0"/> <atom id="1-4-D-xylooligosaccharides-atom19" elementType="O" x2="-2933800.0" y2="14700.0"/> <atom id="1-4-D-xylooligosaccharides-atom20" elementType="O" x2="4302400.0" y2="2474600.0"/> <atom id="1-4-D-xylooligosaccharides-atom21" elementType="C" x2="5025100.0" y2="2076800.0"/> <atom id=…

biopax-level3ChemicalStructure161936
structure data: <atom id="3-OXOPALMITOYL-COA-atom1" elementType="C" x2="88796.0" y2="-59425.0"/> <atom id="3-OXOPALMITOYL-COA-atom2" elementType="O" x2="132213.0" y2="-9617.0"/> <atom id="3-OXOPALMITOYL-COA-atom3" elementType="O" x2="110234.0" y2="-22303.0"/> <atom id="3-OXOPALMITOYL-COA-atom4" elementType="C" x2="95941.0" y2="-63549.0"/> <atom id="3-OXOPALMITOYL-COA-atom5" elementType="C" x2="103086.0" y2="-59426.0"/> <atom id="3-OXOPALMITOYL-COA-atom6" elementType="C" x2="110229.0" y2="-63552.0"/> <atom id="3-OXOPALMITOYL-COA-atom7" elementType="C" x2="117374.0" y2="-59427.0"/> <atom id="3-OXOPALMITOYL-COA-atom8" elementType="C" x2="124518.0" y2="-63553.0"/> <atom id="3-OXOPALMITOYL-COA-atom9" elementType="C" x2="131663.0" y2="-59429.0"/> <atom id="3-OXOPALMITOYL-COA-atom10" elementType="C" x2="131664.0" y2="-51179.0"/> <atom id="3-OXOPALMITOYL-COA-atom11" elementType="C" x2="138810.0" y2="-47055.0"/> <atom id="3-OXOPALMITOYL-COA-atom12" elementType="C" x2="138810.0" y2="-38805.0"/> <atom id="3-OXOPALMITOYL-COA-atom13" elementType="C" x2="131666.0" y2="-34680.0"/> <atom id="3-OXOPALMITOYL-COA-atom14" elementType="C" x2="131667.0" y2="-26430.0"/> <atom id="3-OXOPALMITOYL-COA-atom15" elementType="C" x2="124523.0" y2="-22304.0"/> <atom id="3-OXOPALMITOYL-COA-atom16" elementType="C" x2="117380.0" y2="-9928.0"/> <atom id="3-OXOPALMITOYL-COA-atom17" elementType="S" x2="103090.0" y2="-9927.0"/> <atom id="3-OXOPALMITOYL-COA-atom18" elementType="C" x2="124524.0" y2="-14055.0"/> <atom id="3-OXOPALMITOYL-COA-atom19" elementType="C" x2="110234.0" y2="-14053.0"/> <atom id="3-OXOPALMITOYL-COA-atom20" elementType="C" x2="50542.0" y2="37805.0"/> <atom id="3-OXOPALMITOYL-COA-atom21" elementType="O" x2="18505.0" y2="18846.0" formalCharge="-1"/> <atom id="3-OXOPALMITOYL-COA-atom22" elementType="O" x2="53035.0" y2="52292.0"/> <atom id="3-OXOPALMITOYL-COA-atom23" elementType="O" x2="32107.0" y2="3901.0" formalCharge="-1"/> <atom id="3-OXOPALMITOYL-COA-atom24" elementType="N" x2="58353.0" y2="35151.0"…

biopax-level3ChemicalStructure160857
structure data: <cml> <molecule id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS" title="a 1-(beta-D-galactosyl)-2-(2-hydroxyacyl)sphingosine" formalCharge="0" dictRef="dict1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS"> <atomArray> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom1" elementType="C" x2="0.0" y2="-4.2e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom2" elementType="O" x2="1.69742e+8" y2="-2.8e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom3" elementType="O" x2="2.6673501e+8" y2="-7.0005e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom4" elementType="O" x2="1.69744e+8" y2="0.0"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom5" elementType="O" x2="1.81866e+8" y2="-6.3002e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom6" elementType="O" x2="2.3036e+8" y2="-1.05003e+8"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom7" elementType="O" x2="2.5460899e+8" y2="-9.1005e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom8" elementType="O" x2="2.06112e+8" y2="-9.1002e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom9" elementType="R" x2="1.9399299e+8" y2="-2000.0"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom10" elementType="C" x2="1.57616e+8" y2="-4.9002e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom11" elementType="C" x2="1.69742e+8" y2="-4.2002e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom12" elementType="C" x2="1.2124e+7" y2="-4.9e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom13" elementType="C" x2="1.45492e+8" y2="-4.2002e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom14" elementType="C" x2="2.5461101e+8" y2="-6.3005e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom15" elementType="C" x2="2.4248e+7" y2="-4.2e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom16" elementType="C" x2="1.33368e+8" y2="-4.9001e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom17" elementType="C" x2="3.6373e+7" y2="-4.9e+7"/> <atom id="1-BETA-D-GALACTOSYL-2-2-HYDROXYACYLS-atom…

CHEBI CHEBI:53176
structure data: InChI%3D1S%2FC9H10O2%2Fc1-9%286-4-8-11%295-2-3-7-10%2Fh2-8H%2C1H3%2Fb3-2%2B%2C6-4%2B%2C9-5%2B

biopax-level3ChemicalStructure142432
structure data: <cml> <molecule id="Protein-N-acetyl-D-glucosamine-L-thr" title="[protein]-3-O-(N-acetyl-D-glucosaminyl)-L-threonine" formalCharge="0"> <atomArray> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom1" elementType="O" x2="-23032.0" y2="-39679.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom2" elementType="C" x2="-15887.0" y2="-35554.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom3" elementType="C" x2="-15887.0" y2="-27304.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom4" elementType="C" x2="-23032.0" y2="-23179.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom5" elementType="C" x2="-30177.0" y2="-27304.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom6" elementType="C" x2="-30177.0" y2="-35554.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom7" elementType="O" x2="-23032.0" y2="-14929.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom8" elementType="C" x2="-8743.0" y2="-39679.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom9" elementType="O" x2="-8743.0" y2="-23179.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom10" elementType="O" x2="-37321.0" y2="-39679.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom11" elementType="N" x2="-37321.0" y2="-23179.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom12" elementType="O" x2="-8743.0" y2="-47929.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom13" elementType="C" x2="-37321.0" y2="-14929.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom14" elementType="O" x2="-30177.0" y2="-10804.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom15" elementType="C" x2="-44466.0" y2="-10804.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom16" elementType="C" x2="-15887.0" y2="-10804.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom17" elementType="C" x2="-8743.0" y2="-14929.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-atom18" elementType="C" x2="-15887.0" y2="-2554.0"/> <atom id="Protein-N-acetyl-D-glucosamine-L-thr-a…

CHEBI CHEBI:36210
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-9-11%2813%2910-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29%2Ft11-%2Fm0%2Fs1

CHEBI CHEBI:51340
structure data: InChI%3D1S%2FC19H38O2%2Fc1-15%282%299-6-10-16%283%2911-7-12-17%284%2913-8-14-18%285%2919%2820%2921%2Fh15-18H%2C6-14H2%2C1-5H3%2C%28H%2C20%2C21%29

CHEBI CHEBI:40356
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-3%2811%299-5-7%2813%296%2812%294%282-10%2915-8%285%2914%2Fh4-8%2C10%2C12-14H%2C2H2%2C1H3%2C%28H%2C9%2C11%29%2Ft4-%2C5-%2C6%2B%2C7-%2C8%2B%2Fm1%2Fs1

CHEBI CHEBI:25629
structure data: InChI%3D1S%2FC18H36O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh2-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1

CHEBI CHEBI:59689
structure data: InChI%3D1S%2FC17H25NO3%2Fc1-18%282%2912-13-21-16%2819%2915%2814-8-4-3-5-9-14%2917%2820%2910-6-7-11-17%2Fh3-5%2C8-9%2C15%2C20H%2C6-7%2C10-13H2%2C1-2H3%2Ft15-%2Fm1%2Fs1

biopax-level3ChemicalStructure145339
structure data: <atom id="CPD1G-1354-atom1" elementType="C" x2="174122.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom2" elementType="C" x2="181266.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom3" elementType="C" x2="188411.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom4" elementType="C" x2="195556.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom5" elementType="C" x2="202701.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom6" elementType="C" x2="209845.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom7" elementType="C" x2="216990.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom8" elementType="C" x2="224135.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom9" elementType="C" x2="231279.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom10" elementType="C" x2="238424.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom11" elementType="C" x2="245569.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom12" elementType="C" x2="252714.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom13" elementType="C" x2="259858.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom14" elementType="C" x2="267003.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom15" elementType="C" x2="274148.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom16" elementType="C" x2="281292.0" y2="-21509.0"/> <atom id="CPD1G-1354-atom17" elementType="O" x2="281292.0" y2="-29759.0"/> <atom id="CPD1G-1354-atom18" elementType="O" x2="288437.0" y2="-17384.0"/> <atom id="CPD1G-1354-atom19" elementType="O" x2="306723.0" y2="-21214.0"/> <atom id="CPD1G-1354-atom20" elementType="C" x2="299579.0" y2="-17089.0"/> <atom id="CPD1G-1354-atom21" elementType="C" x2="299579.0" y2="-8839.0"/> <atom id="CPD1G-1354-atom22" elementType="C" x2="306723.0" y2="-4714.0"/> <atom id="CPD1G-1354-atom23" elementType="C" x2="313868.0" y2="-8839.0"/> <atom id="CPD1G-1354-atom24" elementType="C" x2="313868.0" y2="-17089.0"/> <atom id="CPD1G-1354-atom25" elementType="O" x2="306723.0" y2="3536.0"/> <atom id="CPD1G-1354-atom26" elementType="O" x2="293745.0" y2="-3006.0"/> <atom id="CPD1G-1354-atom27" elementType="O" x2="319702.0" y2="-3…

CHEBI CHEBI:28433
structure data: InChI%3D1S%2FC31H48O2%2Fc1-22%282%2912-9-13-23%283%2914-10-15-24%284%2916-11-17-25%285%2920-21-27-26%286%2930%2832%2928-18-7-8-19-29%2828%2931%2827%2933%2Fh7-8%2C18-20%2C22-24%2C32-33H%2C9-17%2C21H2%2C1-6H3%2Fb25-20%2B%2Ft23-%2C24-%2Fm1%2Fs1

CHEBI CHEBI:53753
structure data: InChI%3D1S%2FC57H104O6%2Fc1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55%2858%2961-52-54%2863-57%2860%2951-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3%2953-62-56%2859%2950-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2%2Fh25-30%2C54H%2C4-24%2C31-53H2%2C1-3H3%2Fb28-25-%2C29-26-%2C30-27-

biopax-level3ChemicalStructure126714
structure data: <atom id="ASN-atom1" elementType="C" x2="-3102.0" y2="488.0"/> <atom id="ASN-atom2" elementType="C" x2="4043.0" y2="-3625.0"/> <atom id="ASN-atom3" elementType="C" x2="-10700.0" y2="-2823.0"/> <atom id="ASN-atom4" elementType="N" x2="-2684.0" y2="9550.0" formalCharge="1"/> <atom id="ASN-atom5" elementType="C" x2="11154.0" y2="558.0"/> <atom id="ASN-atom6" elementType="O" x2="-17533.0" y2="1882.0" formalCharge="-1"/> <atom id="ASN-atom7" elementType="O" x2="-11154.0" y2="-11049.0"/> <atom id="ASN-atom8" elementType="N" x2="18683.0" y2="-3590.0"/> <atom id="ASN-atom9" elementType="O" x2="11258.0" y2="8575.0"/> <bond id="ASN-bond1" atomRefs="ASN-atom1 ASN-atom2" order="1"/> <bond id="ASN-bond2" atomRefs="ASN-atom1 ASN-atom3" order="1"/> <bond id="ASN-bond3" atomRefs="ASN-atom1 ASN-atom4" order="1"/> <bond id="ASN-bond4" atomRefs="ASN-atom2 ASN-atom5" order="1"/> <bond id="ASN-bond5" atomRefs="ASN-atom3 ASN-atom6" order="1"/> <bond id="ASN-bond6" atomRefs="ASN-atom3 ASN-atom7" order="2"/> <bond id="ASN-bond7" atomRefs="ASN-atom5 ASN-atom8" order="1"/> <bond id="ASN-bond8" atomRefs="ASN-atom5 ASN-atom9" order="2"/> <formula concise="H 8 O 3 N 2 C 4"/> 132.119 C(=O)([O-])C([N+])CC(=O)N

CHEBI CHEBI:17612
structure data: InChI%3D1S%2FC8H8O4%2Fc9-6-2-1-5%283-7%286%2910%294-8%2811%2912%2Fh1-3%2C9-10H%2C4H2%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:12876
structure data: InChI%3D1S%2FC9H8O3%2Fc10-8-4-1-7%282-5-8%293-6-9%2811%2912%2Fh1-6%2C10H%2C%28H%2C11%2C12%29%2Fp-1%2Fb6-3%2B

CHEBI CHEBI:15076
structure data: InChI%3D1S%2FSe%2Fq-2

CHEBI CHEBI:38359
structure data: InChI%3D1S%2FC6H8O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H%2C1H3%2C%28H%2C7%2C8%29%2Fb3-2-%2C5-4-

biopax-level3ChemicalStructure163817
structure data: <atom id="CPD-7661-atom1" elementType="C" x2="40624.0" y2="18937.0"/> <atom id="CPD-7661-atom2" elementType="C" x2="33479.0" y2="23061.0"/> <atom id="CPD-7661-atom3" elementType="C" x2="33479.0" y2="31312.0"/> <atom id="CPD-7661-atom4" elementType="C" x2="40624.0" y2="35437.0"/> <atom id="CPD-7661-atom5" elementType="C" x2="47769.0" y2="31312.0"/> <atom id="CPD-7661-atom6" elementType="C" x2="47769.0" y2="23061.0"/> <atom id="CPD-7661-atom7" elementType="C" x2="26335.0" y2="18937.0"/> <atom id="CPD-7661-atom8" elementType="C" x2="25817.0" y2="10704.0"/> <atom id="CPD-7661-atom9" elementType="C" x2="18429.0" y2="7035.0"/> <atom id="CPD-7661-atom10" elementType="C" x2="17912.0" y2="-1199.0"/> <atom id="CPD-7661-atom11" elementType="C" x2="10522.0" y2="-4868.0"/> <atom id="CPD-7661-atom12" elementType="C" x2="3378.0" y2="-17243.0"/> <atom id="CPD-7661-atom13" elementType="C" x2="-3767.0" y2="-13118.0"/> <atom id="CPD-7661-atom14" elementType="C" x2="-3767.0" y2="-4868.0"/> <atom id="CPD-7661-atom15" elementType="C" x2="3378.0" y2="-743.0"/> <atom id="CPD-7661-atom16" elementType="C" x2="10522.0" y2="-13118.0"/> <atom id="CPD-7661-atom17" elementType="O" x2="54913.0" y2="35437.0"/> <atom id="CPD-7661-atom18" elementType="O" x2="54913.0" y2="18937.0"/> <atom id="CPD-7661-atom19" elementType="O" x2="-10912.0" y2="-17243.0"/> <atom id="CPD-7661-atom20" elementType="O" x2="-10912.0" y2="-743.0"/> <atom id="CPD-7661-atom21" elementType="C" x2="32689.0" y2="6139.0"/> <atom id="CPD-7661-atom22" elementType="C" x2="11557.0" y2="11600.0"/> <bond id="CPD-7661-bond1" atomRefs="CPD-7661-atom22 CPD-7661-atom9" order="1"/> <bond id="CPD-7661-bond2" atomRefs="CPD-7661-atom21 CPD-7661-atom8" order="1"/> <bond id="CPD-7661-bond3" atomRefs="CPD-7661-atom13 CPD-7661-atom19" order="1"/> <bond id="CPD-7661-bond4" atomRefs="CPD-7661-atom14 CPD-7661-atom20" order="1"/> <bond id="CPD-7661-bond5" atomRefs="CPD-7661-atom5 CPD-7661-atom17" order="1"/> <bond id="CPD-7661-bond6" atomRefs="CPD-7661-…

CHEBI CHEBI:28889
structure data: InChI%3D1S%2FC6H8N4%2Fc1-2-9-6-5%288-1%293-7-4-10-6%2Fh3-4%2C8H%2C1-2H2%2C%28H%2C7%2C9%2C10%29

CHEBI CHEBI:15741
structure data: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

biopax-level3ChemicalStructure134590
structure data: <cml> <molecule id="CPD-8625" title="peptidylproline (omega = 0)" formalCharge="0" dictRef="dictCPD-8625"> <atomArray> <atom id="CPD-8625-atom1" elementType="Protein" x2="-39613.0" y2="-3533.0"/> <atom id="CPD-8625-atom2" elementType="C" x2="-32557.0" y2="-7808.0"/> <atom id="CPD-8625-atom3" elementType="N" x2="-26407.0" y2="-3266.0"/> <atom id="CPD-8625-atom4" elementType="C" x2="-26433.0" y2="4984.0"/> <atom id="CPD-8625-atom5" elementType="C" x2="-32579.0" y2="9326.0"/> <atom id="CPD-8625-atom6" elementType="O" x2="-39710.0" y2="5179.0"/> <atom id="CPD-8625-atom7" elementType="N" x2="-32605.0" y2="17576.0"/> <atom id="CPD-8625-atom8" elementType="Protein" x2="-25472.0" y2="21722.0"/> <atom id="CPD-8625-atom9" elementType="O" x2="-32731.0" y2="-16056.0"/> <atom id="CPD-8625-atom10" elementType="C" x2="-19250.0" y2="-7369.0"/> <atom id="CPD-8625-atom11" elementType="C" x2="-13435.0" y2="-1518.0"/> <atom id="CPD-8625-atom12" elementType="C" x2="-17525.0" y2="6365.0"/> </atomArray> <bondArray> <bond id="CPD-8625-bond1" atomRefs="CPD-8625-atom1 CPD-8625-atom2" order="1"/> <bond id="CPD-8625-bond2" atomRefs="CPD-8625-atom2 CPD-8625-atom3" order="1"/> <bond id="CPD-8625-bond3" atomRefs="CPD-8625-atom3 CPD-8625-atom4" order="1"/> <bond id="CPD-8625-bond4" atomRefs="CPD-8625-atom4 CPD-8625-atom5" order="1"/> <bond id="CPD-8625-bond5" atomRefs="CPD-8625-atom5 CPD-8625-atom6" order="2"/> <bond id="CPD-8625-bond6" atomRefs="CPD-8625-atom5 CPD-8625-atom7" order="1"/> <bond id="CPD-8625-bond7" atomRefs="CPD-8625-atom7 CPD-8625-atom8" order="1"/> <bond id="CPD-8625-bond8" atomRefs="CPD-8625-atom2 CPD-8625-atom9" order="2"/> <bond id="CPD-8625-bond9" atomRefs="CPD-8625-atom3 CPD-8625-atom10" order="1"/> <bond id="CPD-8625-bond10" atomRefs="CPD-8625-atom10 CPD-8625-atom11" order="1"/> <bond id="CPD-8625-bond11" atomRefs="CPD-8625-atom11 CPD-8625-atom12" order="1"/> <bond id="CPD-8625-bond12" atomRefs="CPD-8625-atom4 CPD-8625-atom12" order="1"/> </bondArray> <formula concise=""/> …

biopax-level3ChemicalStructure166367
structure data: <cml> <molecule id="Primary-Amines" title="a primary amine" formalCharge="0" dictRef="dictPrimary-Amines"> <atomArray> <atom id="Primary-Amines-atom1" elementType="R" x2="1294.0" y2="-3477.0"/> <atom id="Primary-Amines-atom2" elementType="N" x2="9544.0" y2="-3477.0"/> <atom id="Primary-Amines-atom3" elementType="H" x2="9544.0" y2="4773.0"/> <atom id="Primary-Amines-atom4" elementType="H" x2="17794.0" y2="-3477.0"/> </atomArray> <bondArray> <bond id="Primary-Amines-bond1" atomRefs="Primary-Amines-atom1 Primary-Amines-atom2" order="1"/> <bond id="Primary-Amines-bond2" atomRefs="Primary-Amines-atom2 Primary-Amines-atom3" order="1"/> <bond id="Primary-Amines-bond3" atomRefs="Primary-Amines-atom2 Primary-Amines-atom4" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">[R][NH2]</string> </molecule> </cml>

CHEBI CHEBI:50004
structure data: InChI%3D1S%2FC14H12O%2Fc1-3-7-11%288-4-1%2913-14%2815-13%2912-9-5-2-6-10-12%2Fh1-10%2C13-14H%2Ft13-%2C14%2B

CHEBI CHEBI:1301
structure data: InChI%3D1S%2FC27H46O2%2Fc1-17%282%296-11-25%2829%2918%283%2922-9-10-23-21-8-7-19-16-20%2828%2912-14-26%2819%2C4%2924%2821%2913-15-27%2822%2C23%295%2Fh7%2C17-18%2C20-25%2C28-29H%2C6%2C8-16H2%2C1-5H3%2Ft18-%2C20-%2C21-%2C22%2B%2C23-%2C24-%2C25-%2C26-%2C27%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure131553
structure data: <atom id="CPD1G-332-atom1" elementType="S" x2="20928.0" y2="-6188.0"/> <atom id="CPD1G-332-atom2" elementType="O" x2="28073.0" y2="6188.0"/> <atom id="CPD1G-332-atom3" elementType="C" x2="106664.0" y2="-6188.0"/> <atom id="CPD1G-332-atom4" elementType="C" x2="99519.0" y2="-2063.0"/> <atom id="CPD1G-332-atom5" elementType="C" x2="113808.0" y2="-2063.0"/> <atom id="CPD1G-332-atom6" elementType="C" x2="92374.0" y2="-6188.0"/> <atom id="CPD1G-332-atom7" elementType="C" x2="120952.0" y2="-6188.0"/> <atom id="CPD1G-332-atom8" elementType="C" x2="85229.0" y2="-2063.0"/> <atom id="CPD1G-332-atom9" elementType="C" x2="128097.0" y2="-2063.0"/> <atom id="CPD1G-332-atom10" elementType="C" x2="78086.0" y2="-6188.0"/> <atom id="CPD1G-332-atom11" elementType="C" x2="135242.0" y2="-6188.0"/> <atom id="CPD1G-332-atom12" elementType="C" x2="70941.0" y2="-2063.0"/> <atom id="CPD1G-332-atom13" elementType="C" x2="142387.0" y2="-2063.0"/> <atom id="CPD1G-332-atom14" elementType="C" x2="63796.0" y2="-6188.0"/> <atom id="CPD1G-332-atom15" elementType="C" x2="149530.0" y2="-6188.0"/> <atom id="CPD1G-332-atom16" elementType="C" x2="56651.0" y2="-2063.0"/> <atom id="CPD1G-332-atom17" elementType="C" x2="156675.0" y2="-2063.0"/> <atom id="CPD1G-332-atom18" elementType="C" x2="49506.0" y2="-6188.0"/> <atom id="CPD1G-332-atom19" elementType="C" x2="163819.0" y2="-6188.0"/> <atom id="CPD1G-332-atom20" elementType="C" x2="42364.0" y2="-2063.0"/> <atom id="CPD1G-332-atom21" elementType="C" x2="170965.0" y2="-2063.0"/> <atom id="CPD1G-332-atom22" elementType="C" x2="35219.0" y2="-6188.0"/> <atom id="CPD1G-332-atom23" elementType="C" x2="178108.0" y2="-6188.0"/> <atom id="CPD1G-332-atom24" elementType="C" x2="28073.0" y2="-2063.0"/> <atom id="CPD1G-332-atom25" elementType="C" x2="-31618.0" y2="41543.0"/> <atom id="CPD1G-332-atom26" elementType="O" x2="-63654.0" y2="22584.0" formalCharge="-1"/> <atom id="CPD1G-332-atom27" elementType="O" x2="-29125.0" y2="56029.0"/> <atom id="CPD1G-332-atom28" elemen…

CHEBI CHEBI:17917
structure data: InChI%3D1S%2FC6H11NO3%2Fc7-5%286%289%2910%293-1-2-4-8%2Fh4-5H%2C1-3%2C7H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:58321
structure data: InChI%3D1S%2FC6H11NO3%2Fc7-5%286%289%2910%293-1-2-4-8%2Fh4-5H%2C1-3%2C7H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:36216
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-11%2813%299-10-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29%2Ft11-%2Fm1%2Fs1

biopax-level3ChemicalStructure160792
structure data: <cml> <molecule id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU" title="1,3-beta-D-galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl- R" formalCharge="0" dictRef="dict13-BETA-D-GALACTOSYL-14-ALPHA-L-FU"> <atomArray> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom1" elementType="C" x2="0.0" y2="-6118.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom2" elementType="O" x2="10796.0" y2="-8196.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom3" elementType="O" x2="13254.0" y2="-3463.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom4" elementType="O" x2="4798.0" y2="-10273.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom5" elementType="O" x2="11996.0" y2="-6118.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom6" elementType="O" x2="0.0" y2="-3347.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom7" elementType="O" x2="2399.0" y2="-1962.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom8" elementType="O" x2="9655.0" y2="0.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom9" elementType="O" x2="12054.0" y2="-1385.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom10" elementType="O" x2="4798.0" y2="-3347.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom11" elementType="O" x2="7256.0" y2="-1385.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom12" elementType="R" x2="9597.0" y2="-10273.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom13" elementType="C" x2="12054.0" y2="-4156.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom14" elementType="C" x2="4798.0" y2="-8888.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom15" elementType="N" x2="9597.0" y2="-6118.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom16" elementType="O" x2="9597.0" y2="-8888.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom17" elementType="O" x2="2399.0" y2="-6118.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom18" elementType="O" x2="9655.0" y2="-4156.0"/> <atom id="13-BETA-D-GALACTOSYL-14-ALPHA-L-FU-atom19" elementType="O" x…

biopax-level3ChemicalStructure141486
structure data: <cml> <molecule id="N-Acylated-Amino-Acids" title="an N-acyl-L-amino acid" formalCharge="-1" dictRef="dictN-Acylated-Amino-Acids"> <atomArray> <atom id="N-Acylated-Amino-Acids-atom1" elementType="O" x2="0.0" y2="-4900.0"/> <atom id="N-Acylated-Amino-Acids-atom2" elementType="O" x2="1212.0" y2="0.0"/> <atom id="N-Acylated-Amino-Acids-atom3" elementType="O" x2="3637.0" y2="0.0" formalCharge="-1"/> <atom id="N-Acylated-Amino-Acids-atom4" elementType="R" x2="2425.0" y2="-4900.0"/> <atom id="N-Acylated-Amino-Acids-atom5" elementType="R" x2="3637.0" y2="-2800.0"/> <atom id="N-Acylated-Amino-Acids-atom6" elementType="N" x2="1212.0" y2="-2800.0"/> <atom id="N-Acylated-Amino-Acids-atom7" elementType="C" x2="1212.0" y2="-4200.0"/> <atom id="N-Acylated-Amino-Acids-atom8" elementType="C" x2="2425.0" y2="-700.0"/> <atom id="N-Acylated-Amino-Acids-atom9" elementType="C" x2="2425.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="N-Acylated-Amino-Acids-bond1" atomRefs="N-Acylated-Amino-Acids-atom8 N-Acylated-Amino-Acids-atom9" order="1"/> <bond id="N-Acylated-Amino-Acids-bond2" atomRefs="N-Acylated-Amino-Acids-atom6 N-Acylated-Amino-Acids-atom9" order="1"/> <bond id="N-Acylated-Amino-Acids-bond3" atomRefs="N-Acylated-Amino-Acids-atom6 N-Acylated-Amino-Acids-atom7" order="1"/> <bond id="N-Acylated-Amino-Acids-bond4" atomRefs="N-Acylated-Amino-Acids-atom5 N-Acylated-Amino-Acids-atom9" order="1"/> <bond id="N-Acylated-Amino-Acids-bond5" atomRefs="N-Acylated-Amino-Acids-atom4 N-Acylated-Amino-Acids-atom7" order="1"/> <bond id="N-Acylated-Amino-Acids-bond6" atomRefs="N-Acylated-Amino-Acids-atom3 N-Acylated-Amino-Acids-atom8" order="1"/> <bond id="N-Acylated-Amino-Acids-bond7" atomRefs="N-Acylated-Amino-Acids-atom2 N-Acylated-Amino-Acids-atom8" order="2"/> <bond id="N-Acylated-Amino-Acids-bond8" atomRefs="N-Acylated-Amino-Acids-atom1 N-Acylated-Amino-Acids-atom7" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([R])NC([R])C(=O)[O-]</string> </molecule> </cml…

CHEBI CHEBI:58750
structure data: InChI%3D1S%2FC27H46O4%2Fc1-16%286-5-7-17%282%2925%2830%2931%2920-8-9-21-24-22%2811-13-27%2820%2C21%294%2926%283%2912-10-19%2828%2914-18%2826%2915-23%2824%2929%2Fh16-24%2C28-29H%2C5-15H2%2C1-4H3%2C%28H%2C30%2C31%29%2Fp-1%2Ft16-%2C17-%2C18%2B%2C19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:28884
structure data: InChI%3D1S%2FC8H9NO%2Fc1-7%2810%299-8-5-3-2-4-6-8%2Fh2-6H%2C1H3%2C%28H%2C9%2C10%29

CHEBI CHEBI:27821
structure data: InChI%3D1S%2FC4H6O3%2Fc1-3%282-5%294%286%297%2Fh2-3H%2C1H3%2C%28H%2C6%2C7%29%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:17579
structure data: InChI%3D1S%2FC40H56%2Fc1-31%2819-13-21-33%283%2925-27-37-35%285%2923-15-29-39%2837%2C7%298%2917-11-12-18-32%282%2920-14-22-34%284%2926-28-38-36%286%2924-16-30-40%2838%2C9%2910%2Fh11-14%2C17-22%2C25-28H%2C15-16%2C23-24%2C29-30H2%2C1-10H3%2Fb12-11%2B%2C19-13%2B%2C20-14%2B%2C27-25%2B%2C28-26%2B%2C31-17%2B%2C32-18%2B%2C33-21%2B%2C34-22%2B

biopax-level3ChemicalStructure157505
structure data: <atom id="INDOLE-PROPIONATE-atom1" elementType="C" x2="-36183.0" y2="-20227.0"/> <atom id="INDOLE-PROPIONATE-atom2" elementType="C" x2="-38832.0" y2="-12414.0"/> <atom id="INDOLE-PROPIONATE-atom3" elementType="C" x2="-33389.0" y2="-6214.0"/> <atom id="INDOLE-PROPIONATE-atom4" elementType="C" x2="-25298.0" y2="-7826.0"/> <atom id="INDOLE-PROPIONATE-atom5" elementType="C" x2="-22650.0" y2="-15640.0"/> <atom id="INDOLE-PROPIONATE-atom6" elementType="C" x2="-28092.0" y2="-21840.0"/> <atom id="INDOLE-PROPIONATE-atom7" elementType="C" x2="-15072.0" y2="-18900.0"/> <atom id="INDOLE-PROPIONATE-atom8" elementType="C" x2="-15830.0" y2="-27115.0"/> <atom id="INDOLE-PROPIONATE-atom9" elementType="N" x2="-23877.0" y2="-28932.0"/> <atom id="INDOLE-PROPIONATE-atom10" elementType="C" x2="-7927.0" y2="-14775.0"/> <atom id="INDOLE-PROPIONATE-atom11" elementType="C" x2="-782.0" y2="-18900.0"/> <atom id="INDOLE-PROPIONATE-atom12" elementType="C" x2="6363.0" y2="-14775.0"/> <atom id="INDOLE-PROPIONATE-atom13" elementType="O" x2="6363.0" y2="-6525.0" formalCharge="-1"/> <atom id="INDOLE-PROPIONATE-atom14" elementType="O" x2="14331.0" y2="-16910.0"/> <bond id="INDOLE-PROPIONATE-bond1" atomRefs="INDOLE-PROPIONATE-atom1 INDOLE-PROPIONATE-atom2" order="1"/> <bond id="INDOLE-PROPIONATE-bond2" atomRefs="INDOLE-PROPIONATE-atom2 INDOLE-PROPIONATE-atom3" order="2"/> <bond id="INDOLE-PROPIONATE-bond3" atomRefs="INDOLE-PROPIONATE-atom3 INDOLE-PROPIONATE-atom4" order="1"/> <bond id="INDOLE-PROPIONATE-bond4" atomRefs="INDOLE-PROPIONATE-atom4 INDOLE-PROPIONATE-atom5" order="2"/> <bond id="INDOLE-PROPIONATE-bond5" atomRefs="INDOLE-PROPIONATE-atom1 INDOLE-PROPIONATE-atom6" order="2"/> <bond id="INDOLE-PROPIONATE-bond6" atomRefs="INDOLE-PROPIONATE-atom9 INDOLE-PROPIONATE-atom6" order="1"/> <bond id="INDOLE-PROPIONATE-bond7" atomRefs="INDOLE-PROPIONATE-atom6 INDOLE-PROPIONATE-atom5" order="1"/> <bond id="INDOLE-PROPIONATE-bond8" atomRefs="INDOLE-PROPIONATE-atom7 INDOLE-PROPIONATE-atom5" order="1"/> <bond …

CHEBI CHEBI:4608
structure data: InChI%3D1S%2FC2H6S2%2Fc1-3-4-2%2Fh1-2H3

CHEBI CHEBI:48317
structure data: InChI%3D1S%2FC11H22O2%2Fc1-5-11%283%2C13-4%298-6-7-10%282%299-12%2Fh9-10H%2C5-8H2%2C1-4H3

CHEBI CHEBI:16668
structure data: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)

CHEBI CHEBI:57853
structure data: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)

biopax-level3ChemicalStructure158659
structure data: <cml> <molecule id="Long-Chain-Carboxylates" title="a long chain carboxylate" formalCharge="-1" dictRef="dictLong-Chain-Carboxylates"> <atomArray> <atom id="Long-Chain-Carboxylates-atom1" elementType="R" x2="-16405.0" y2="-6615.0"/> <atom id="Long-Chain-Carboxylates-atom2" elementType="C" x2="-9261.0" y2="-10740.0"/> <atom id="Long-Chain-Carboxylates-atom3" elementType="O" x2="-9261.0" y2="-18989.0"/> <atom id="Long-Chain-Carboxylates-atom4" elementType="O" x2="-628.0" y2="-10657.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="Long-Chain-Carboxylates-bond1" atomRefs="Long-Chain-Carboxylates-atom1 Long-Chain-Carboxylates-atom2" order="1"/> <bond id="Long-Chain-Carboxylates-bond2" atomRefs="Long-Chain-Carboxylates-atom2 Long-Chain-Carboxylates-atom3" order="2"/> <bond id="Long-Chain-Carboxylates-bond3" atomRefs="Long-Chain-Carboxylates-atom2 Long-Chain-Carboxylates-atom4" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([O-])(=O)[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure153272
structure data: <cml> <molecule id="CPD-8563" title="myosin light-chain phosphate" formalCharge="0" dictRef="dictCPD-8563"> <atomArray> <atom id="CPD-8563-atom1" elementType="R" x2="-43607.0" y2="-2062.0"/> <atom id="CPD-8563-atom2" elementType="C" x2="-37774.0" y2="-7896.0"/> <atom id="CPD-8563-atom3" elementType="N" x2="-31940.0" y2="-2062.0"/> <atom id="CPD-8563-atom4" elementType="O" x2="-37774.0" y2="-16146.0"/> <atom id="CPD-8563-atom5" elementType="C" x2="-31940.0" y2="6188.0"/> <atom id="CPD-8563-atom6" elementType="C" x2="-37774.0" y2="12021.0"/> <atom id="CPD-8563-atom7" elementType="N" x2="-44918.0" y2="7896.0"/> <atom id="CPD-8563-atom8" elementType="R" x2="-52063.0" y2="12021.0"/> <atom id="CPD-8563-atom9" elementType="O" x2="-37774.0" y2="20271.0"/> <atom id="CPD-8563-atom10" elementType="C" x2="-24795.0" y2="10313.0"/> <atom id="CPD-8563-atom11" elementType="O" x2="-18829.0" y2="5009.0"/> <atom id="CPD-8563-atom12" elementType="P" x2="-10579.0" y2="5009.0"/> <atom id="CPD-8563-atom13" elementType="O" x2="-2329.0" y2="5009.0"/> <atom id="CPD-8563-atom14" elementType="O" x2="-10579.0" y2="-3241.0"/> <atom id="CPD-8563-atom15" elementType="O" x2="-10579.0" y2="13259.0"/> </atomArray> <bondArray> <bond id="CPD-8563-bond1" atomRefs="CPD-8563-atom1 CPD-8563-atom2" order="1"/> <bond id="CPD-8563-bond2" atomRefs="CPD-8563-atom2 CPD-8563-atom3" order="1"/> <bond id="CPD-8563-bond3" atomRefs="CPD-8563-atom2 CPD-8563-atom4" order="2"/> <bond id="CPD-8563-bond4" atomRefs="CPD-8563-atom5 CPD-8563-atom3" order="1"/> <bond id="CPD-8563-bond5" atomRefs="CPD-8563-atom5 CPD-8563-atom6" order="1"/> <bond id="CPD-8563-bond6" atomRefs="CPD-8563-atom6 CPD-8563-atom7" order="1"/> <bond id="CPD-8563-bond7" atomRefs="CPD-8563-atom7 CPD-8563-atom8" order="1"/> <bond id="CPD-8563-bond8" atomRefs="CPD-8563-atom6 CPD-8563-atom9" order="2"/> <bond id="CPD-8563-bond9" atomRefs="CPD-8563-atom5 CPD-8563-atom10" order="1"/> <bond id="CPD-8563-bond10" atomRefs="CPD-8563-atom10 CPD-8563-atom11" order="…

CHEBI CHEBI:61727
structure data: InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh8-10H%2C2-7H2%2C1H3

biopax-level3ChemicalStructure155885
structure data: <cml> <molecule id="CPD-841" title="an N-acyl-D-mannosamine 6-phosphate" formalCharge="-2" dictRef="dictCPD-841"> <atomArray> <atom id="CPD-841-atom1" elementType="O" x2="25809.0" y2="22793.0"/> <atom id="CPD-841-atom2" elementType="N" x2="25809.0" y2="39256.0"/> <atom id="CPD-841-atom3" elementType="O" x2="11503.0" y2="47534.0"/> <atom id="CPD-841-atom4" elementType="O" x2="-2759.0" y2="39257.0"/> <atom id="CPD-841-atom5" elementType="O" x2="11456.0" y2="22793.0"/> <atom id="CPD-841-atom6" elementType="O" x2="-9080.0" y2="28118.0"/> <atom id="CPD-841-atom7" elementType="C" x2="18655.0" y2="26909.0"/> <atom id="CPD-841-atom8" elementType="C" x2="18655.0" y2="35140.0"/> <atom id="CPD-841-atom9" elementType="C" x2="11456.0" y2="39257.0"/> <atom id="CPD-841-atom10" elementType="C" x2="4303.0" y2="35141.0"/> <atom id="CPD-841-atom11" elementType="C" x2="4303.0" y2="26910.0"/> <atom id="CPD-841-atom12" elementType="C" x2="-2759.0" y2="22794.0"/> <atom id="CPD-841-atom13" elementType="C" x2="25822.0" y2="47506.0"/> <atom id="CPD-841-atom14" elementType="R" x2="32973.0" y2="51621.0"/> <atom id="CPD-841-atom15" elementType="O" x2="18684.0" y2="51642.0"/> <atom id="CPD-841-atom16" elementType="P" x2="-17370.0" y2="28095.0"/> <atom id="CPD-841-atom17" elementType="O" x2="-25620.0" y2="28095.0" formalCharge="-1"/> <atom id="CPD-841-atom18" elementType="O" x2="-17358.0" y2="19845.0" formalCharge="-1"/> <atom id="CPD-841-atom19" elementType="O" x2="-17422.0" y2="36345.0"/> </atomArray> <bondArray> <bond id="CPD-841-bond1" atomRefs="CPD-841-atom16 CPD-841-atom19" order="2"/> <bond id="CPD-841-bond2" atomRefs="CPD-841-atom16 CPD-841-atom18" order="1"/> <bond id="CPD-841-bond3" atomRefs="CPD-841-atom16 CPD-841-atom17" order="1"/> <bond id="CPD-841-bond4" atomRefs="CPD-841-atom6 CPD-841-atom16" order="1"/> <bond id="CPD-841-bond5" atomRefs="CPD-841-atom13 CPD-841-atom15" order="2"/> <bond id="CPD-841-bond6" atomRefs="CPD-841-atom13 CPD-841-atom14" order="1"/> <bond id="CPD-841-bond7…

CHEBI CHEBI:53219
structure data: InChI%3D1S%2FC32H42O%2Fc1-26%2816-10-18-28%283%2920-13-25-33%2914-8-9-15-27%282%2917-11-19-29%284%2922-23-31-30%285%2921-12-24-32%2831%2C6%297%2Fh8-11%2C13-20%2C22-23%2C25H%2C12%2C21%2C24H2%2C1-7H3%2Fb9-8%2B%2C16-10%2B%2C17-11%2B%2C20-13%2B%2C23-22%2B%2C26-14%2B%2C27-15%2B%2C28-18%2B%2C29-19%2B

CHEBI CHEBI:23858
structure data: InChI%3D1S%2FC22H44O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh2-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fp-1

CHEBI CHEBI:16709
structure data: InChI%3D1S%2FC8H11NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C10-12H%2C3-4H2%2C1H3

CHEBI CHEBI:53759
structure data: InChI%3D1S%2FC57H104O6%2Fc1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55%2858%2961-52-54%2863-57%2860%2951-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3%2953-62-56%2859%2950-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2%2Fh25-30%2C54H%2C4-24%2C31-53H2%2C1-3H3%2Fb28-25%2B%2C29-26%2B%2C30-27%2B

CHEBI CHEBI:16359
structure data: InChI%3D1S%2FC24H40O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-20%2C22%2C25-27H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Ft13-%2C14%2B%2C15-%2C16-%2C17%2B%2C18%2B%2C19-%2C20%2B%2C22%2B%2C23%2B%2C24-%2Fm1%2Fs1

CHEBI CHEBI:58803
structure data: InChI%3D1S%2FC24H36O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh10%2C13%2C16-20%2C22%2C26-27H%2C4-9%2C11-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Fp-1%2Ft13-%2C16-%2C17%2B%2C18%2B%2C19-%2C20%2B%2C22%2B%2C23%2B%2C24-%2Fm1%2Fs1

biopax-level3ChemicalStructure136144
structure data: <cml> <molecule id="Thiols" title="a thiol" formalCharge="0" dictRef="dictThiols"> <atomArray> <atom id="Thiols-atom1" elementType="S" x2="1400.0" y2="0.0"/> <atom id="Thiols-atom2" elementType="R" x2="0.0" y2="0.0"/> </atomArray> <bondArray> <bond id="Thiols-bond1" atomRefs="Thiols-atom1 Thiols-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">S[R]</string> </molecule> </cml>

CHEBI CHEBI:57834
structure data: InChI%3D1S%2FC7H19N3%2Fc8-4-1-2-6-10-7-3-5-9%2Fh10H%2C1-9H2%2Fp%2B3

biopax-level3ChemicalStructure170019
structure data: <atom id="20-OH-LTB4-atom1" elementType="O" x2="76879.0" y2="-30619.0"/> <atom id="20-OH-LTB4-atom2" elementType="O" x2="54443.0" y2="-376.0"/> <atom id="20-OH-LTB4-atom3" elementType="O" x2="83275.0" y2="-15983.0" formalCharge="-1"/> <atom id="20-OH-LTB4-atom4" elementType="O" x2="4372.0" y2="-23889.0"/> <atom id="20-OH-LTB4-atom5" elementType="O" x2="52822.0" y2="-30619.0"/> <atom id="20-OH-LTB4-atom6" elementType="C" x2="27757.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom7" elementType="C" x2="33982.0" y2="-21703.0"/> <atom id="20-OH-LTB4-atom8" elementType="C" x2="21870.0" y2="-21703.0"/> <atom id="20-OH-LTB4-atom9" elementType="C" x2="39363.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom10" elementType="C" x2="15307.0" y2="0.0"/> <atom id="20-OH-LTB4-atom11" elementType="C" x2="6729.0" y2="0.0"/> <atom id="20-OH-LTB4-atom12" elementType="C" x2="15307.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom13" elementType="C" x2="47102.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom14" elementType="C" x2="47102.0" y2="-4544.0"/> <atom id="20-OH-LTB4-atom15" elementType="C" x2="21870.0" y2="-4544.0"/> <atom id="20-OH-LTB4-atom16" elementType="C" x2="39363.0" y2="0.0"/> <atom id="20-OH-LTB4-atom17" elementType="C" x2="27757.0" y2="0.0"/> <atom id="20-OH-LTB4-atom18" elementType="C" x2="33982.0" y2="-4544.0"/> <atom id="20-OH-LTB4-atom19" elementType="C" x2="65272.0" y2="-21703.0"/> <atom id="20-OH-LTB4-atom20" elementType="C" x2="0.0" y2="-8411.0"/> <atom id="20-OH-LTB4-atom21" elementType="C" x2="70487.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom22" elementType="C" x2="59385.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom23" elementType="C" x2="76879.0" y2="-21703.0"/> <atom id="20-OH-LTB4-atom24" elementType="C" x2="6729.0" y2="-15983.0"/> <atom id="20-OH-LTB4-atom25" elementType="C" x2="52822.0" y2="-21703.0"/> <bond id="20-OH-LTB4-bond1" atomRefs="20-OH-LTB4-atom22 20-OH-LTB4-atom25" order="1"/> <bond id="20-OH-LTB4-bond2" atomRefs="20-OH-LTB4-atom21 20-OH-LTB4-atom23" order="1"/> …

CHEBI CHEBI:57741
structure data: InChI%3D1S%2FC8H11NO%2Fc9-6-8%2810%297-4-2-1-3-5-7%2Fh1-5%2C8%2C10H%2C6%2C9H2%2Fp%2B1

CHEBI CHEBI:36432
structure data: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)

CHEBI CHEBI:65084
structure data: InChI%3D1S%2FC18H36O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18%2820%2917-19%2Fh17-18%2C20H%2C2-16H2%2C1H3

CHEBI CHEBI:15927
structure data: InChI%3D1S%2FC11H14N2O5%2Fc12-10%2817%296-2-1-3-13%284-6%2911-9%2816%298%2815%297%285-14%2918-11%2Fh1-4%2C7-9%2C11%2C14-16H%2C5H2%2C%28H-%2C12%2C17%29%2Fp%2B1%2Ft7-%2C8-%2C9-%2C11-%2Fm1%2Fs1

CHEBI CHEBI:29120
structure data: InChI%3D1S%2FNO%2Fc1-2%2Fq%2B1

biopax-level3ChemicalStructure162461
structure data: <atom id="2-METHYL-ACETO-ACETYL-COA-atom1" elementType="C" x2="41099.0" y2="-12375.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom2" elementType="O" x2="16654.0" y2="-40640.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom3" elementType="C" x2="38043.0" y2="-18029.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom4" elementType="C" x2="23529.0" y2="-27807.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom5" elementType="N" x2="28265.0" y2="764.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom6" elementType="C" x2="-40182.0" y2="-33001.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom7" elementType="P" x2="33613.0" y2="-37890.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom8" elementType="C" x2="4278.0" y2="-33001.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom9" elementType="O" x2="38043.0" y2="-22918.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom10" elementType="C" x2="45988.0" y2="8403.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom11" elementType="O" x2="33613.0" y2="-46141.0" formalCharge="-1"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom12" elementType="C" x2="10542.0" y2="-28265.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom13" elementType="N" x2="-24293.0" y2="-32696.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom14" elementType="O" x2="33307.0" y2="-8098.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom15" elementType="O" x2="4278.0" y2="-41252.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom16" elementType="S" x2="-2903.0" y2="-27807.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom17" elementType="C" x2="16654.0" y2="-32390.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom18" elementType="C" x2="-33001.0" y2="-28418.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom19" elementType="O" x2="-33001.0" y2="-20168.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom20" elementType="O" x2="-5042.0" y2="4889.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom21" elementType="O" x2="-14515.0" y2="-3361.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom22" elementType="C" x2="25668.0" y2="-3361.0"/> <atom id="2-METHYL-ACETO-ACETYL-COA-atom…

biopax-level3ChemicalStructure164058
structure data: <atom id="CPD-11497-atom1" elementType="C" x2="-82500.0" y2="2940.0"/> <atom id="CPD-11497-atom2" elementType="C" x2="-153950.0" y2="44200.0"/> <atom id="CPD-11497-atom3" elementType="C" x2="-153950.0" y2="126700.0"/> <atom id="CPD-11497-atom4" elementType="C" x2="-82500.0" y2="167950.0"/> <atom id="CPD-11497-atom5" elementType="C" x2="-11050.0" y2="126700.0"/> <atom id="CPD-11497-atom6" elementType="C" x2="-11050.0" y2="44200.0"/> <atom id="CPD-11497-atom7" elementType="O" x2="-82500.0" y2="250450.0"/> <atom id="CPD-11497-atom8" elementType="O" x2="-225390.0" y2="167950.0"/> <atom id="CPD-11497-atom9" elementType="C" x2="-298790.0" y2="130270.0"/> <atom id="CPD-11497-atom10" elementType="C" x2="-82500.0" y2="-79560.0"/> <atom id="CPD-11497-atom11" elementType="C" x2="-11050.0" y2="-120810.0"/> <atom id="CPD-11497-atom12" elementType="O" x2="-153950.0" y2="-120810.0"/> <atom id="CPD-11497-atom13" elementType="O" x2="-11050.0" y2="-203310.0"/> <bond id="CPD-11497-bond1" atomRefs="CPD-11497-atom1 CPD-11497-atom2" order="1"/> <bond id="CPD-11497-bond2" atomRefs="CPD-11497-atom2 CPD-11497-atom3" order="2"/> <bond id="CPD-11497-bond3" atomRefs="CPD-11497-atom3 CPD-11497-atom4" order="1"/> <bond id="CPD-11497-bond4" atomRefs="CPD-11497-atom4 CPD-11497-atom5" order="2"/> <bond id="CPD-11497-bond5" atomRefs="CPD-11497-atom5 CPD-11497-atom6" order="1"/> <bond id="CPD-11497-bond6" atomRefs="CPD-11497-atom1 CPD-11497-atom6" order="2"/> <bond id="CPD-11497-bond7" atomRefs="CPD-11497-atom4 CPD-11497-atom7" order="1"/> <bond id="CPD-11497-bond8" atomRefs="CPD-11497-atom3 CPD-11497-atom8" order="1"/> <bond id="CPD-11497-bond9" atomRefs="CPD-11497-atom8 CPD-11497-atom9" order="1"/> <bond id="CPD-11497-bond10" atomRefs="CPD-11497-atom1 CPD-11497-atom10" order="1"/> <bond id="CPD-11497-bond11" atomRefs="CPD-11497-atom10 CPD-11497-atom11" order="1"/> <bond id="CPD-11497-bond12" atomRefs="CPD-11497-atom10 CPD-11497-atom12" order="1"/> <bond id="CPD-11497-bond13" atomRefs="CPD-11497-ato…

CHEBI CHEBI:15428
structure data: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)

biopax-level3ChemicalStructure170569
structure data: <cml> <molecule id="Peptide-3-hydroxy-L-Aspartates" title="a peptide 3-hydroxy-L-aspartate" formalCharge="0" dictRef="dictPeptide-3-hydroxy-L-Aspartates"> <atomArray> <atom id="Peptide-3-hydroxy-L-Aspartates-atom1" elementType="Protein" x2="-33000.0" y2="2946.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom2" elementType="N" x2="-25855.0" y2="-1179.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom3" elementType="C" x2="-18711.0" y2="2946.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom4" elementType="C" x2="-11566.0" y2="-1179.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom5" elementType="C" x2="-4421.0" y2="2946.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom6" elementType="O" x2="-18711.0" y2="11196.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom7" elementType="O" x2="-4421.0" y2="11196.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom8" elementType="C" x2="2724.0" y2="-1179.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom9" elementType="O" x2="9868.0" y2="2946.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom10" elementType="O" x2="2724.0" y2="-9429.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom11" elementType="N" x2="-11566.0" y2="-9429.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom12" elementType="C" x2="-17400.0" y2="-15262.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom13" elementType="Protein" x2="-17400.0" y2="-23512.0"/> <atom id="Peptide-3-hydroxy-L-Aspartates-atom14" elementType="O" x2="-24544.0" y2="-11137.0"/> </atomArray> <bondArray> <bond id="Peptide-3-hydroxy-L-Aspartates-bond1" atomRefs="Peptide-3-hydroxy-L-Aspartates-atom1 Peptide-3-hydroxy-L-Aspartates-atom2" order="1"/> <bond id="Peptide-3-hydroxy-L-Aspartates-bond2" atomRefs="Peptide-3-hydroxy-L-Aspartates-atom2 Peptide-3-hydroxy-L-Aspartates-atom3" order="1"/> <bond id="Peptide-3-hydroxy-L-Aspartates-bond3" atomRefs="Peptide-3-hydroxy-L-Aspartates-atom3 Peptide-3-hydroxy-L-Aspartates-atom4" order="1"/> <bond id="Peptide-3-hydroxy-L-Aspartates-bond4" atomRefs="Pepti…

biopax-level3ChemicalStructure148552
structure data: <atom id="LAUROYLCOA-CPD-atom1" elementType="O" x2="109764.0" y2="-27302.0"/> <atom id="LAUROYLCOA-CPD-atom2" elementType="C" x2="146288.0" y2="-12444.0"/> <atom id="LAUROYLCOA-CPD-atom3" elementType="C" x2="139102.0" y2="-17196.0"/> <atom id="LAUROYLCOA-CPD-atom4" elementType="C" x2="131396.0" y2="-13347.0"/> <atom id="LAUROYLCOA-CPD-atom5" elementType="C" x2="124211.0" y2="-18098.0"/> <atom id="LAUROYLCOA-CPD-atom6" elementType="C" x2="116505.0" y2="-14249.0"/> <atom id="LAUROYLCOA-CPD-atom7" elementType="S" x2="102284.0" y2="-15648.0"/> <atom id="LAUROYLCOA-CPD-atom8" elementType="C" x2="109797.0" y2="-19054.0"/> <atom id="LAUROYLCOA-CPD-atom9" elementType="C" x2="49736.0" y2="32083.0"/> <atom id="LAUROYLCOA-CPD-atom10" elementType="O" x2="17700.0" y2="13124.0" formalCharge="-1"/> <atom id="LAUROYLCOA-CPD-atom11" elementType="O" x2="52229.0" y2="46570.0"/> <atom id="LAUROYLCOA-CPD-atom12" elementType="O" x2="31301.0" y2="-1820.0" formalCharge="-1"/> <atom id="LAUROYLCOA-CPD-atom13" elementType="N" x2="57547.0" y2="29429.0"/> <atom id="LAUROYLCOA-CPD-atom14" elementType="N" x2="65257.0" y2="42380.0"/> <atom id="LAUROYLCOA-CPD-atom15" elementType="O" x2="20856.0" y2="24630.0"/> <atom id="LAUROYLCOA-CPD-atom16" elementType="N" x2="68240.0" y2="21440.0"/> <atom id="LAUROYLCOA-CPD-atom17" elementType="N" x2="52277.0" y2="-19846.0"/> <atom id="LAUROYLCOA-CPD-atom18" elementType="O" x2="26061.0" y2="55087.0" formalCharge="-1"/> <atom id="LAUROYLCOA-CPD-atom19" elementType="O" x2="28814.0" y2="9578.0"/> <atom id="LAUROYLCOA-CPD-atom20" elementType="C" x2="39042.0" y2="40071.0"/> <atom id="LAUROYLCOA-CPD-atom21" elementType="C" x2="30837.0" y2="-15752.0"/> <atom id="LAUROYLCOA-CPD-atom22" elementType="C" x2="64285.0" y2="34188.0"/> <atom id="LAUROYLCOA-CPD-atom23" elementType="P" x2="25031.0" y2="16910.0"/> <atom id="LAUROYLCOA-CPD-atom24" elementType="C" x2="72837.0" y2="45635.0"/> <atom id="LAUROYLCOA-CPD-atom25" elementType="O" x2="42997.0" y2="27323.0"/> <atom id="LAU…

CHEBI CHEBI:4856
structure data: InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3

CHEBI CHEBI:50624
structure data: InChI%3D1S%2FC5H12O%2Fc1-3-5%282%294-6%2Fh5-6H%2C3-4H2%2C1-2H3%2Ft5-%2Fm1%2Fs1

biopax-level3ChemicalStructure149613
structure data: <atom id="Methyl-Jasmonates-atom1" elementType="C" x2="17245.0" y2="-4329.0"/> <atom id="Methyl-Jasmonates-atom2" elementType="C" x2="18600.0" y2="-17019.0"/> <atom id="Methyl-Jasmonates-atom3" elementType="C" x2="25092.0" y2="-14856.0"/> <atom id="Methyl-Jasmonates-atom4" elementType="O" x2="-23594.0" y2="-25176.0"/> <atom id="Methyl-Jasmonates-atom5" elementType="C" x2="-25176.0" y2="-10944.0"/> <atom id="Methyl-Jasmonates-atom6" elementType="C" x2="-11528.0" y2="-15770.0"/> <atom id="Methyl-Jasmonates-atom7" elementType="C" x2="11694.0" y2="-14441.0"/> <atom id="Methyl-Jasmonates-atom8" elementType="O" x2="9944.0" y2="-1206.0"/> <atom id="Methyl-Jasmonates-atom9" elementType="C" x2="-20931.0" y2="-3205.0"/> <atom id="Methyl-Jasmonates-atom10" elementType="C" x2="-3371.0" y2="-7200.0"/> <atom id="Methyl-Jasmonates-atom11" elementType="O" x2="9944.0" y2="-8280.0"/> <atom id="Methyl-Jasmonates-atom12" elementType="C" x2="4202.0" y2="-16022.0"/> <atom id="Methyl-Jasmonates-atom13" elementType="C" x2="-11528.0" y2="-5201.0"/> <atom id="Methyl-Jasmonates-atom14" elementType="C" x2="4454.0" y2="-4952.0"/> <atom id="Methyl-Jasmonates-atom15" elementType="C" x2="-20931.0" y2="-18018.0"/> <atom id="Methyl-Jasmonates-atom16" elementType="C" x2="-3288.0" y2="-13857.0"/> <bond id="Methyl-Jasmonates-bond1" atomRefs="Methyl-Jasmonates-atom16 Methyl-Jasmonates-atom6" order="1"/> <bond id="Methyl-Jasmonates-bond2" atomRefs="Methyl-Jasmonates-atom15 Methyl-Jasmonates-atom4" order="2"/> <bond id="Methyl-Jasmonates-bond3" atomRefs="Methyl-Jasmonates-atom15 Methyl-Jasmonates-atom5" order="1"/> <bond id="Methyl-Jasmonates-bond4" atomRefs="Methyl-Jasmonates-atom13 Methyl-Jasmonates-atom10" order="1"/> <bond id="Methyl-Jasmonates-bond5" atomRefs="Methyl-Jasmonates-atom12 Methyl-Jasmonates-atom16" order="1"/> <bond id="Methyl-Jasmonates-bond6" atomRefs="Methyl-Jasmonates-atom11 Methyl-Jasmonates-atom14" order="2"/> <bond id="Methyl-Jasmonates-bond7" atomRefs="Methyl-Jasmonates-atom10 Met…

CHEBI CHEBI:32426
structure data: InChI%3D1S%2FC20H38O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh9-10H%2C2-8%2C11-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb10-9-

biopax-level3ChemicalStructure141224
structure data: <cml> <molecule id="Ceramides" title="a ceramide" formalCharge="0" dictRef="dictCeramides"> <atomArray> <atom id="Ceramides-atom1" elementType="C" x2="1388.0" y2="1454.0"/> <atom id="Ceramides-atom2" elementType="C" x2="1316.0" y2="1413.0"/> <atom id="Ceramides-atom3" elementType="C" x2="1459.0" y2="1413.0"/> <atom id="Ceramides-atom4" elementType="C" x2="1245.0" y2="1454.0"/> <atom id="Ceramides-atom5" elementType="C" x2="1531.0" y2="1454.0"/> <atom id="Ceramides-atom6" elementType="C" x2="1602.0" y2="1413.0"/> <atom id="Ceramides-atom7" elementType="O" x2="1459.0" y2="1331.0"/> <atom id="Ceramides-atom8" elementType="O" x2="1674.0" y2="1454.0"/> <atom id="Ceramides-atom9" elementType="N" x2="1531.0" y2="1537.0"/> <atom id="Ceramides-atom10" elementType="R" x2="1388.0" y2="1537.0"/> <atom id="Ceramides-atom11" elementType="C" x2="1459.0" y2="1578.0"/> <atom id="Ceramides-atom12" elementType="O" x2="1459.0" y2="1661.0"/> <atom id="Ceramides-atom13" elementType="C" x2="959.0" y2="1454.0"/> <atom id="Ceramides-atom14" elementType="C" x2="888.0" y2="1413.0"/> <atom id="Ceramides-atom15" elementType="C" x2="1102.0" y2="1454.0"/> <atom id="Ceramides-atom16" elementType="C" x2="1031.0" y2="1413.0"/> <atom id="Ceramides-atom17" elementType="C" x2="1173.0" y2="1413.0"/> <atom id="Ceramides-atom18" elementType="C" x2="888.0" y2="1331.0"/> <atom id="Ceramides-atom19" elementType="C" x2="959.0" y2="1290.0"/> <atom id="Ceramides-atom20" elementType="C" x2="1031.0" y2="1331.0"/> <atom id="Ceramides-atom21" elementType="C" x2="1102.0" y2="1290.0"/> <atom id="Ceramides-atom22" elementType="C" x2="1174.0" y2="1332.0"/> <atom id="Ceramides-atom23" elementType="C" x2="1245.0" y2="1291.0"/> <atom id="Ceramides-atom24" elementType="C" x2="1317.0" y2="1332.0"/> </atomArray> <bondArray> <bond id="Ceramides-bond1" atomRefs="Ceramides-atom1 Ceramides-atom2" order="2"/> <bond id="Ceramides-bond2" atomRefs="Ceramides-atom1 Ceramides-atom3" order="1"/> <bond id="Ceramides-bond3" atomRefs="Cer…

biopax-level3ChemicalStructure159658
structure data: <atom id="5-METHYLTHIOTUBERCIDIN-atom1" elementType="C" x2="0.0" y2="-14099.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom2" elementType="N" x2="70578.0" y2="-18564.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom3" elementType="O" x2="19523.0" y2="0.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom4" elementType="O" x2="37472.0" y2="0.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom5" elementType="C" x2="58091.0" y2="-661.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom6" elementType="C" x2="53817.0" y2="-24916.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom7" elementType="C" x2="45567.0" y2="-24916.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom8" elementType="C" x2="13977.0" y2="-17070.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom9" elementType="N" x2="64766.0" y2="-5510.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom10" elementType="N" x2="50555.0" y2="-4016.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom11" elementType="O" x2="28498.0" y2="-19370.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom12" elementType="S" x2="7846.0" y2="-11549.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom13" elementType="C" x2="63903.0" y2="-13714.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom14" elementType="C" x2="56367.0" y2="-17070.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom15" elementType="C" x2="49692.0" y2="-12221.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom16" elementType="C" x2="24373.0" y2="-6674.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom17" elementType="C" x2="32623.0" y2="-6674.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom18" elementType="C" x2="21823.0" y2="-14520.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom19" elementType="C" x2="35172.0" y2="-14520.0"/> <atom id="5-METHYLTHIOTUBERCIDIN-atom20" elementType="N" x2="43018.0" y2="-17070.0"/> <bond id="5-METHYLTHIOTUBERCIDIN-bond1" atomRefs="5-METHYLTHIOTUBERCIDIN-atom19 5-METHYLTHIOTUBERCIDIN-atom20" order="1"/> <bond id="5-METHYLTHIOTUBERCIDIN-bond2" atomRefs="5-METHYLTHIOTUBERCIDIN-atom17 5-METHYLTHIOTUBERCIDIN-atom19" order="1"/> <bond id="5-METHYLTHIOTUBERCIDIN-bond3" atomRefs="5-METHYLTHIOTU…

biopax-level3ChemicalStructure138303
structure data: <cml> <molecule id="L-1-PHOSPHATIDYL-SERINE" title="an L-1-phosphatidylserine" formalCharge="-1" dictRef="dictL-1-PHOSPHATIDYL-SERINE"> <atomArray> <atom id="L-1-PHOSPHATIDYL-SERINE-atom1" elementType="O" x2="48450.0" y2="-29549.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom2" elementType="O" x2="1900.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom3" elementType="O" x2="10675.0" y2="-37877.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom4" elementType="C" x2="-19814.0" y2="-25533.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom5" elementType="O" x2="41312.0" y2="-42190.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom6" elementType="P" x2="10675.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom7" elementType="C" x2="27629.0" y2="-33862.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom8" elementType="C" x2="34619.0" y2="-29697.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom9" elementType="C" x2="-18030.0" y2="-41149.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom10" elementType="O" x2="-12675.0" y2="-36985.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom11" elementType="O" x2="-27250.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom12" elementType="O" x2="10675.0" y2="-21220.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom13" elementType="O" x2="18408.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom14" elementType="R1" x2="-41677.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom15" elementType="C" x2="-34389.0" y2="-25533.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom16" elementType="O" x2="-34389.0" y2="-17205.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom17" elementType="O" x2="-26358.0" y2="-41149.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom18" elementType="C" x2="41312.0" y2="-33862.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom19" elementType="C" x2="-12675.0" y2="-29549.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom20" elementType="R2" x2="-11188.0" y2="-45760.0"/> <atom id="L-1-PHOSPHATIDYL-SERINE-atom21" elementType="C" x2="-5388.0" y2=…

CHEBI CHEBI:15389
structure data: InChI%3D1S%2FC10H16O%2Fc1-7%282%299-5-4-8%283%2910%2811%296-9%2Fh4%2C9-11H%2C1%2C5-6H2%2C2-3H3%2Ft9-%2C10%2B%2Fm1%2Fs1

CHEBI CHEBI:15891
structure data: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

CHEBI CHEBI:507393
structure data: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

biopax-level3ChemicalStructure138881
structure data: <atom id="3-HYDROXY-L-KYNURENINE-atom1" elementType="O" x2="-43530.0" y2="72260.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom2" elementType="O" x2="173680.0" y2="-128040.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom3" elementType="C" x2="-186350.0" y2="-9720.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom4" elementType="C" x2="-114520.0" y2="-51130.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom5" elementType="C" x2="105220.0" y2="1270.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom6" elementType="C" x2="27470.0" y2="-51130.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom7" elementType="C" x2="-43530.0" y2="-9720.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom8" elementType="N" x2="-45220.0" y2="-177900.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom9" elementType="O" x2="-186350.0" y2="-256500.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom10" elementType="C" x2="-186350.0" y2="-174520.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom11" elementType="C" x2="-114520.0" y2="-133960.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom12" elementType="O" x2="255660.0" y2="-46060.0" formalCharge="-1"/> <atom id="3-HYDROXY-L-KYNURENINE-atom13" elementType="N" x2="105220.0" y2="83250.0" formalCharge="1"/> <atom id="3-HYDROXY-L-KYNURENINE-atom14" elementType="C" x2="173680.0" y2="-46060.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom15" elementType="C" x2="-256500.0" y2="-133960.0"/> <atom id="3-HYDROXY-L-KYNURENINE-atom16" elementType="C" x2="-256500.0" y2="-51130.0"/> <bond id="3-HYDROXY-L-KYNURENINE-bond1" atomRefs="3-HYDROXY-L-KYNURENINE-atom16 3-HYDROXY-L-KYNURENINE-atom3" order="2"/> <bond id="3-HYDROXY-L-KYNURENINE-bond2" atomRefs="3-HYDROXY-L-KYNURENINE-atom15 3-HYDROXY-L-KYNURENINE-atom16" order="1"/> <bond id="3-HYDROXY-L-KYNURENINE-bond3" atomRefs="3-HYDROXY-L-KYNURENINE-atom14 3-HYDROXY-L-KYNURENINE-atom5" order="1"/> <bond id="3-HYDROXY-L-KYNURENINE-bond4" atomRefs="3-HYDROXY-L-KYNURENINE-atom13 3-HYDROXY-L-KYNURENINE-atom5" order="1"/> <bond id="3-HYDROXY-L-KYNURENINE-bond5" atomRefs="3-HYDROXY-L-KYNURENINE-atom12 3-HYDRO…

CHEBI CHEBI:31004
structure data: InChI%3D1S%2FC30H60O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30%2831%2932%2Fh2-29H2%2C1H3%2C%28H%2C31%2C32%29%2Fp-1

CHEBI CHEBI:34334
structure data: InChI%3D1S%2FC8H6O4%2Fc9-4-5-2-1-3-6%287%285%2910%298%2811%2912%2Fh1-4%2C10H%2C%28H%2C11%2C12%29

biopax-level3ChemicalStructure157644
structure data: <atom id="EIF5A-LYSINE-atom1" elementType="N" x2="-23982.0" y2="-15896.0"/> <atom id="EIF5A-LYSINE-atom2" elementType="C" x2="-16838.0" y2="-20021.0"/> <atom id="EIF5A-LYSINE-atom3" elementType="C" x2="-9693.0" y2="-15896.0"/> <atom id="EIF5A-LYSINE-atom4" elementType="O" x2="-9693.0" y2="-7646.0"/> <atom id="EIF5A-LYSINE-atom5" elementType="EIF5A" x2="-2548.0" y2="-20021.0"/> <atom id="EIF5A-LYSINE-atom6" elementType="C" x2="-16838.0" y2="-28271.0"/> <atom id="EIF5A-LYSINE-atom7" elementType="C" x2="-9693.0" y2="-32396.0"/> <atom id="EIF5A-LYSINE-atom8" elementType="C" x2="-9693.0" y2="-40646.0"/> <atom id="EIF5A-LYSINE-atom9" elementType="C" x2="-2548.0" y2="-44771.0"/> <atom id="EIF5A-LYSINE-atom10" elementType="N" x2="-2548.0" y2="-53021.0"/> <atom id="EIF5A-LYSINE-atom11" elementType="EIF5A" x2="-31127.0" y2="-20022.0"/> <bond id="EIF5A-LYSINE-bond1" atomRefs="EIF5A-LYSINE-atom1 EIF5A-LYSINE-atom2" order="1"/> <bond id="EIF5A-LYSINE-bond2" atomRefs="EIF5A-LYSINE-atom2 EIF5A-LYSINE-atom3" order="1"/> <bond id="EIF5A-LYSINE-bond3" atomRefs="EIF5A-LYSINE-atom2 EIF5A-LYSINE-atom6" order="1"/> <bond id="EIF5A-LYSINE-bond4" atomRefs="EIF5A-LYSINE-atom3 EIF5A-LYSINE-atom5" order="1"/> <bond id="EIF5A-LYSINE-bond5" atomRefs="EIF5A-LYSINE-atom3 EIF5A-LYSINE-atom4" order="2"/> <bond id="EIF5A-LYSINE-bond6" atomRefs="EIF5A-LYSINE-atom6 EIF5A-LYSINE-atom7" order="1"/> <bond id="EIF5A-LYSINE-bond7" atomRefs="EIF5A-LYSINE-atom7 EIF5A-LYSINE-atom8" order="1"/> <bond id="EIF5A-LYSINE-bond8" atomRefs="EIF5A-LYSINE-atom8 EIF5A-LYSINE-atom9" order="1"/> <bond id="EIF5A-LYSINE-bond9" atomRefs="EIF5A-LYSINE-atom9 EIF5A-LYSINE-atom10" order="1"/> <bond id="EIF5A-LYSINE-bond10" atomRefs="EIF5A-LYSINE-atom1 EIF5A-LYSINE-atom11" order="1"/> <formula concise=""/> C(=O)([an eIF5A protein])C(CCCCN)N[an eIF5A protein]

biopax-level3ChemicalStructure141190
structure data: <atom id="CPD-13297-atom1" elementType="N" x2="-1517.0" y2="919.0" formalCharge="1"/> <atom id="CPD-13297-atom2" elementType="C" x2="-2231.0" y2="507.0"/> <atom id="CPD-13297-atom3" elementType="C" x2="-2231.0" y2="-318.0"/> <atom id="CPD-13297-atom4" elementType="O" x2="-2946.0" y2="-731.0"/> <atom id="CPD-13297-atom5" elementType="C" x2="-2946.0" y2="-1556.0"/> <atom id="CPD-13297-atom6" elementType="C" x2="-2231.0" y2="-1968.0"/> <atom id="CPD-13297-atom7" elementType="C" x2="-2231.0" y2="-2793.0"/> <atom id="CPD-13297-atom8" elementType="C" x2="-2946.0" y2="-3206.0"/> <atom id="CPD-13297-atom9" elementType="C" x2="-3660.0" y2="-2793.0"/> <atom id="CPD-13297-atom10" elementType="O" x2="-3660.0" y2="-1968.0"/> <atom id="CPD-13297-atom11" elementType="C" x2="-4374.0" y2="-3206.0"/> <atom id="CPD-13297-atom12" elementType="O" x2="-4374.0" y2="-4031.0"/> <atom id="CPD-13297-atom13" elementType="O" x2="-2946.0" y2="-4031.0"/> <atom id="CPD-13297-atom14" elementType="O" x2="-1517.0" y2="-3206.0"/> <atom id="CPD-13297-atom15" elementType="O" x2="-1517.0" y2="-1556.0"/> <atom id="CPD-13297-atom16" elementType="C" x2="-2946.0" y2="919.0"/> <atom id="CPD-13297-atom17" elementType="C" x2="-3660.0" y2="507.0"/> <atom id="CPD-13297-atom18" elementType="C" x2="-4374.0" y2="919.0"/> <atom id="CPD-13297-atom19" elementType="C" x2="-5089.0" y2="507.0"/> <atom id="CPD-13297-atom20" elementType="C" x2="-5803.0" y2="919.0"/> <atom id="CPD-13297-atom21" elementType="C" x2="-6518.0" y2="507.0"/> <atom id="CPD-13297-atom22" elementType="C" x2="-7232.0" y2="919.0"/> <atom id="CPD-13297-atom23" elementType="C" x2="-7947.0" y2="507.0"/> <atom id="CPD-13297-atom24" elementType="C" x2="-8661.0" y2="919.0"/> <atom id="CPD-13297-atom25" elementType="C" x2="-9376.0" y2="507.0"/> <atom id="CPD-13297-atom26" elementType="C" x2="-10090.0" y2="919.0"/> <atom id="CPD-13297-atom27" elementType="C" x2="-10804.0" y2="507.0"/> <atom id="CPD-13297-atom28" elementType="C" x2="-11519.0" y2="919.0"/> <atom…

biopax-level3ChemicalStructure171831
structure data: <atom id="CPD-374-atom1" elementType="C" x2="570080.0" y2="-166930.0"/> <atom id="CPD-374-atom2" elementType="N" x2="0.0" y2="-1890.0"/> <atom id="CPD-374-atom3" elementType="O" x2="428750.0" y2="-248510.0"/> <atom id="CPD-374-atom4" elementType="O" x2="142260.0" y2="-247570.0"/> <atom id="CPD-374-atom5" elementType="O" x2="499860.0" y2="-43630.0"/> <atom id="CPD-374-atom6" elementType="C" x2="358540.0" y2="-41710.0"/> <atom id="CPD-374-atom7" elementType="N" x2="285510.0" y2="-166930.0"/> <atom id="CPD-374-atom8" elementType="N" x2="142260.0" y2="0.0"/> <atom id="CPD-374-atom9" elementType="N" x2="286450.0" y2="-940.0"/> <atom id="CPD-374-atom10" elementType="N" x2="71150.0" y2="-125190.0"/> <atom id="CPD-374-atom11" elementType="C" x2="357590.0" y2="-125190.0"/> <atom id="CPD-374-atom12" elementType="C" x2="428750.0" y2="-166930.0"/> <atom id="CPD-374-atom13" elementType="C" x2="71150.0" y2="-41710.0"/> <atom id="CPD-374-atom14" elementType="C" x2="214360.0" y2="-41710.0"/> <atom id="CPD-374-atom15" elementType="C" x2="214360.0" y2="-125190.0" formalCharge="-1"/> <atom id="CPD-374-atom16" elementType="C" x2="142260.0" y2="-165990.0"/> <atom id="CPD-374-atom17" elementType="C" x2="499860.0" y2="-126130.0"/> <bond id="CPD-374-bond1" atomRefs="CPD-374-atom15 CPD-374-atom16" order="1"/> <bond id="CPD-374-bond2" atomRefs="CPD-374-atom14 CPD-374-atom15" order="1"/> <bond id="CPD-374-bond3" atomRefs="CPD-374-atom12 CPD-374-atom17" order="1"/> <bond id="CPD-374-bond4" atomRefs="CPD-374-atom11 CPD-374-atom12" order="1"/> <bond id="CPD-374-bond5" atomRefs="CPD-374-atom16 CPD-374-atom10" order="1"/> <bond id="CPD-374-bond6" atomRefs="CPD-374-atom10 CPD-374-atom13" order="2"/> <bond id="CPD-374-bond7" atomRefs="CPD-374-atom9 CPD-374-atom14" order="1"/> <bond id="CPD-374-bond8" atomRefs="CPD-374-atom8 CPD-374-atom14" order="2"/> <bond id="CPD-374-bond9" atomRefs="CPD-374-atom13 CPD-374-atom8" order="1"/> <bond id="CPD-374-bond10" atomRefs="CPD-374-atom7 CPD-374-atom15" order="…

biopax-level3ChemicalStructure163809
structure data: <atom id="CPD-7664-atom1" elementType="C" x2="-343740.0" y2="-245000.0"/> <atom id="CPD-7664-atom2" elementType="C" x2="-415190.0" y2="-203750.0"/> <atom id="CPD-7664-atom3" elementType="C" x2="-415190.0" y2="-121250.0"/> <atom id="CPD-7664-atom4" elementType="C" x2="-343740.0" y2="-80000.0"/> <atom id="CPD-7664-atom5" elementType="C" x2="-272300.0" y2="-121250.0"/> <atom id="CPD-7664-atom6" elementType="C" x2="-272300.0" y2="-203750.0"/> <atom id="CPD-7664-atom7" elementType="N" x2="-486630.0" y2="-245000.0" formalCharge="1"/> <atom id="CPD-7664-atom8" elementType="O" x2="-486630.0" y2="-327500.0" formalCharge="-1"/> <atom id="CPD-7664-atom9" elementType="O" x2="-558080.0" y2="-203750.0"/> <atom id="CPD-7664-atom10" elementType="O" x2="-486630.0" y2="-80000.0"/> <atom id="CPD-7664-atom11" elementType="O" x2="-343740.0" y2="2500.0"/> <atom id="CPD-7664-atom12" elementType="C" x2="-200860.0" y2="-245000.0"/> <atom id="CPD-7664-atom13" elementType="O" x2="-200860.0" y2="-327500.0"/> <atom id="CPD-7664-atom14" elementType="C" x2="-129410.0" y2="-203750.0"/> <atom id="CPD-7664-atom15" elementType="C" x2="-57960.0" y2="-245000.0"/> <atom id="CPD-7664-atom16" elementType="C" x2="-129410.0" y2="-121250.0"/> <atom id="CPD-7664-atom17" elementType="C" x2="-57960.0" y2="-80000.0"/> <atom id="CPD-7664-atom18" elementType="C" x2="13480.0" y2="-121250.0"/> <atom id="CPD-7664-atom19" elementType="C" x2="13480.0" y2="-203750.0"/> <atom id="CPD-7664-atom20" elementType="C" x2="84930.0" y2="-80000.0"/> <bond id="CPD-7664-bond1" atomRefs="CPD-7664-atom18 CPD-7664-atom20" order="1"/> <bond id="CPD-7664-bond2" atomRefs="CPD-7664-atom18 CPD-7664-atom19" order="1"/> <bond id="CPD-7664-bond3" atomRefs="CPD-7664-atom17 CPD-7664-atom18" order="2"/> <bond id="CPD-7664-bond4" atomRefs="CPD-7664-atom16 CPD-7664-atom17" order="1"/> <bond id="CPD-7664-bond5" atomRefs="CPD-7664-atom19 CPD-7664-atom15" order="2"/> <bond id="CPD-7664-bond6" atomRefs="CPD-7664-atom14 CPD-7664-atom16" order="2"/> <bo…

CHEBI CHEBI:38238
structure data: InChI%3D1S%2FC18H24O4%2Fc1-3-4-5-6-7-8-9-10-11-12-15-13-17%2821-2%2916%2814-19%2918%2820%2922-15%2Fh3-6%2C11-13%2C19H%2C7-10%2C14H2%2C1-2H3%2Fb4-3%2B%2C6-5%2B%2C12-11%2B

biopax-level3ChemicalStructure171568
structure data: <cml> <molecule id="A-LIPID-HYDROPEROXIDE" title="a lipid hydroperoxide" formalCharge="0" dictRef="dictA-LIPID-HYDROPEROXIDE"> <atomArray> <atom id="A-LIPID-HYDROPEROXIDE-atom1" elementType="O" x2="2425.0" y2="0.0"/> <atom id="A-LIPID-HYDROPEROXIDE-atom2" elementType="R" x2="0.0" y2="0.0"/> <atom id="A-LIPID-HYDROPEROXIDE-atom3" elementType="O" x2="1212.0" y2="-700.0"/> </atomArray> <bondArray> <bond id="A-LIPID-HYDROPEROXIDE-bond1" atomRefs="A-LIPID-HYDROPEROXIDE-atom2 A-LIPID-HYDROPEROXIDE-atom3" order="1"/> <bond id="A-LIPID-HYDROPEROXIDE-bond2" atomRefs="A-LIPID-HYDROPEROXIDE-atom1 A-LIPID-HYDROPEROXIDE-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">OO[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure144585
structure data: <cml> <molecule id="Glycerophosphodiesters" title="a glycerophosphodiester" formalCharge="-1" dictRef="dictGlycerophosphodiesters"> <atomArray> <atom id="Glycerophosphodiesters-atom1" elementType="C" x2="-3188.0" y2="-1104.0"/> <atom id="Glycerophosphodiesters-atom2" elementType="O" x2="-2473.0" y2="-1517.0"/> <atom id="Glycerophosphodiesters-atom3" elementType="P" x2="-1759.0" y2="-1104.0"/> <atom id="Glycerophosphodiesters-atom4" elementType="O" x2="-2171.0" y2="-390.0" formalCharge="-1"/> <atom id="Glycerophosphodiesters-atom5" elementType="O" x2="-1346.0" y2="-1819.0"/> <atom id="Glycerophosphodiesters-atom6" elementType="O" x2="-1044.0" y2="-692.0"/> <atom id="Glycerophosphodiesters-atom7" elementType="R" x2="-330.0" y2="-1104.0"/> <atom id="Glycerophosphodiesters-atom8" elementType="C" x2="-3902.0" y2="-1517.0"/> <atom id="Glycerophosphodiesters-atom9" elementType="C" x2="-4617.0" y2="-1104.0"/> <atom id="Glycerophosphodiesters-atom10" elementType="O" x2="-5331.0" y2="-1517.0"/> <atom id="Glycerophosphodiesters-atom11" elementType="O" x2="-3902.0" y2="-2342.0"/> </atomArray> <bondArray> <bond id="Glycerophosphodiesters-bond1" atomRefs="Glycerophosphodiesters-atom1 Glycerophosphodiesters-atom2" order="1"/> <bond id="Glycerophosphodiesters-bond2" atomRefs="Glycerophosphodiesters-atom2 Glycerophosphodiesters-atom3" order="1"/> <bond id="Glycerophosphodiesters-bond3" atomRefs="Glycerophosphodiesters-atom3 Glycerophosphodiesters-atom4" order="1"/> <bond id="Glycerophosphodiesters-bond4" atomRefs="Glycerophosphodiesters-atom3 Glycerophosphodiesters-atom5" order="2"/> <bond id="Glycerophosphodiesters-bond5" atomRefs="Glycerophosphodiesters-atom3 Glycerophosphodiesters-atom6" order="1"/> <bond id="Glycerophosphodiesters-bond6" atomRefs="Glycerophosphodiesters-atom6 Glycerophosphodiesters-atom7" order="1"/> <bond id="Glycerophosphodiesters-bond7" atomRefs="Glycerophosphodiesters-atom1 Glycerophosphodiesters-atom8" order="1"/> <bond id="Glycerophosphodiesters-bond8" ato…

CHEBI CHEBI:16962
structure data: InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh9%2C14-15%2C18%2C22%2C26H%2C3-8%2C10-11H2%2C1-2H3%2Ft14-%2C15-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1

CHEBI CHEBI:50036
structure data: InChI%3D1S%2FC20H20O5%2Fc1-11%282%293-5-13-16%2822%298-6-14-18%2813%2924-10-20%2823%2915-7-4-12%2821%299-17%2815%2925-19%2814%2920%2Fh3-4%2C6-9%2C19%2C21-23H%2C5%2C10H2%2C1-2H3%2Ft19-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:65008
structure data: InChI%3D1S%2FC12H23N3O7%2Fc13-3-1-4%2814%2911%2810%2820%297%283%2917%2922-12-6%2815%299%2819%298%2818%295%282-16%2921-12%2Fh2-12%2C17-20H%2C1%2C13-15H2%2Ft3-%2C4%2B%2C5-%2C6-%2C7%2B%2C8-%2C9-%2C10-%2C11-%2C12-%2Fm1%2Fs1

biopax-level3ChemicalStructure169269
structure data: <atom id="CPD-4702-atom1" elementType="C" x2="88823.0" y2="-40976.0"/> <atom id="CPD-4702-atom2" elementType="C" x2="78203.0" y2="-31415.0"/> <atom id="CPD-4702-atom3" elementType="C" x2="48054.0" y2="-54225.0"/> <atom id="CPD-4702-atom4" elementType="C" x2="21433.0" y2="-33261.0"/> <atom id="CPD-4702-atom5" elementType="C" x2="44041.0" y2="-45903.0"/> <atom id="CPD-4702-atom6" elementType="O" x2="21744.0" y2="-358.0"/> <atom id="CPD-4702-atom7" elementType="O" x2="7459.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-4702-atom8" elementType="O" x2="0.0" y2="-12635.0"/> <atom id="CPD-4702-atom9" elementType="C" x2="75234.0" y2="-45392.0"/> <atom id="CPD-4702-atom10" elementType="C" x2="67164.0" y2="-43677.0"/> <atom id="CPD-4702-atom11" elementType="C" x2="35722.0" y2="-16761.0"/> <atom id="CPD-4702-atom12" elementType="C" x2="28890.0" y2="-37698.0"/> <atom id="CPD-4702-atom13" elementType="C" x2="61644.0" y2="-49807.0"/> <atom id="CPD-4702-atom14" elementType="C" x2="28577.0" y2="-12635.0"/> <atom id="CPD-4702-atom15" elementType="C" x2="51024.0" y2="-26899.0"/> <atom id="CPD-4702-atom16" elementType="C" x2="7144.0" y2="-25011.0"/> <atom id="CPD-4702-atom17" elementType="C" x2="55874.0" y2="-33573.0"/> <atom id="CPD-4702-atom18" elementType="C" x2="36034.0" y2="-41823.0"/> <atom id="CPD-4702-atom19" elementType="C" x2="14288.0" y2="-29136.0"/> <atom id="CPD-4702-atom20" elementType="C" x2="80754.0" y2="-39261.0"/> <atom id="CPD-4702-atom21" elementType="C" x2="14498.0" y2="-4303.0"/> <atom id="CPD-4702-atom22" elementType="C" x2="36034.0" y2="-25323.0"/> <atom id="CPD-4702-atom23" elementType="C" x2="28890.0" y2="-29448.0"/> <atom id="CPD-4702-atom24" elementType="C" x2="53575.0" y2="-48092.0"/> <atom id="CPD-4702-atom25" elementType="C" x2="7144.0" y2="-16761.0"/> <atom id="CPD-4702-atom26" elementType="C" x2="43179.0" y2="-29448.0"/> <atom id="CPD-4702-atom27" elementType="C" x2="51024.0" y2="-40246.0"/> <atom id="CPD-4702-atom28" elementType="C" x2="21433.0" y2="-1…

CHEBI CHEBI:18105
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-3%288%295%2810%296%2811%294%289%292-15-16%2812%2C13%2914%2Fh3%2C5-8%2C10-11H%2C1-2H2%2C%28H2%2C12%2C13%2C14%29%2Ft3-%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure126402
structure data: <atom id="L-ALPHA-ALANINE-atom1" elementType="C" x2="1271.0" y2="1040.0"/> <atom id="L-ALPHA-ALANINE-atom2" elementType="C" x2="1205.0" y2="996.0"/> <atom id="L-ALPHA-ALANINE-atom3" elementType="C" x2="1343.0" y2="1000.0"/> <atom id="L-ALPHA-ALANINE-atom4" elementType="N" x2="1274.0" y2="1122.0" formalCharge="1"/> <atom id="L-ALPHA-ALANINE-atom5" elementType="O" x2="1133.0" y2="1036.0" formalCharge="-1"/> <atom id="L-ALPHA-ALANINE-atom6" elementType="O" x2="1201.0" y2="912.0"/> <bond id="L-ALPHA-ALANINE-bond1" atomRefs="L-ALPHA-ALANINE-atom1 L-ALPHA-ALANINE-atom2" order="1"/> <bond id="L-ALPHA-ALANINE-bond2" atomRefs="L-ALPHA-ALANINE-atom1 L-ALPHA-ALANINE-atom3" order="1"/> <bond id="L-ALPHA-ALANINE-bond3" atomRefs="L-ALPHA-ALANINE-atom1 L-ALPHA-ALANINE-atom4" order="1"/> <bond id="L-ALPHA-ALANINE-bond4" atomRefs="L-ALPHA-ALANINE-atom2 L-ALPHA-ALANINE-atom5" order="1"/> <bond id="L-ALPHA-ALANINE-bond5" atomRefs="L-ALPHA-ALANINE-atom2 L-ALPHA-ALANINE-atom6" order="2"/> <formula concise="H 7 O 2 N 1 C 3"/> 89.094 C(=O)([O-])C([N+])C

CHEBI CHEBI:35425
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-2-3%287%294%288%295%2812-2%2913-14%289%2C10%2911%2Fh2-8H%2C1H2%2C%28H2%2C9%2C10%2C11%29%2Ft2-%2C3-%2C4-%2C5%3F%2Fm1%2Fs1

biopax-level3ChemicalStructure150418
structure data: <cml> <molecule id="CHONDROITIN-46-DISULFATE" title="[chondroitin]-4,6-di-O-sulfo-N-acetyl-D-galactosamine" formalCharge="-2" dictRef="dictCHONDROITIN-46-DISULFATE"> <atomArray> <atom id="CHONDROITIN-46-DISULFATE-atom1" elementType="S" x2="1466.0" y2="1215.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom2" elementType="O" x2="1694.0" y2="1323.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom3" elementType="O" x2="1693.0" y2="1050.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom4" elementType="O" x2="1836.0" y2="1051.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom5" elementType="O" x2="1550.0" y2="1215.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom6" elementType="O" x2="1763.0" y2="1341.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom7" elementType="O" x2="1466.0" y2="1298.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom8" elementType="O" x2="1466.0" y2="1132.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom9" elementType="O" x2="1384.0" y2="1215.0" formalCharge="-1"/> <atom id="CHONDROITIN-46-DISULFATE-atom10" elementType="N" x2="1836.0" y2="1215.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom11" elementType="C" x2="1694.0" y2="1216.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom12" elementType="C" x2="1766.0" y2="1175.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom13" elementType="C" x2="1622.0" y2="1174.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom14" elementType="C" x2="1766.0" y2="1092.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom15" elementType="C" x2="1622.0" y2="1092.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom16" elementType="C" x2="1550.0" y2="1050.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom17" elementType="C" x2="1836.0" y2="1299.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom18" elementType="C" x2="1908.0" y2="1340.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom19" elementType="R2" x2="1623.0" y2="1364.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom20" elementType="R1" x2="1836.0" y2="969.0"/> <atom id="CHONDROITIN-46-DISULFATE-atom21" elementType="O" x2="1467.0" y2="1050.0"/> <atom id="CHONDROITIN-46-DI…

biopax-level3ChemicalStructure144803
structure data: <cml> <molecule id="Cyclic-2-3-Ribonucleoside-Monophosphates" title="a nucleoside 2',3'-cyclic phosphate" formalCharge="-1" dictRef="dictCyclic-2-3-Ribonucleoside-Monophosphates"> <atomArray> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom1" elementType="O" x2="140640.0" y2="0.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom2" elementType="O" x2="0.0" y2="-225370.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom3" elementType="O" x2="273260.0" y2="-1170.0" formalCharge="-1"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom4" elementType="C" x2="61310.0" y2="-280580.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom5" elementType="O" x2="206520.0" y2="-303570.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom6" elementType="O" x2="139770.0" y2="-98160.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom7" elementType="O" x2="273260.0" y2="-98160.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom8" elementType="C" x2="139770.0" y2="-255080.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom9" elementType="C" x2="165270.0" y2="-176620.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom10" elementType="C" x2="247770.0" y2="-176620.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom11" elementType="C" x2="273260.0" y2="-255080.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom12" elementType="R" x2="351720.0" y2="-280580.0"/> <atom id="Cyclic-2-3-Ribonucleoside-Monophosphates-atom13" elementType="P" x2="206520.0" y2="-49660.0"/> </atomArray> <bondArray> <bond id="Cyclic-2-3-Ribonucleoside-Monophosphates-bond1" atomRefs="Cyclic-2-3-Ribonucleoside-Monophosphates-atom1 Cyclic-2-3-Ribonucleoside-Monophosphates-atom13" order="2"/> <bond id="Cyclic-2-3-Ribonucleoside-Monophosphates-bond2" atomRefs="Cyclic-2-3-Ribonucleoside-Monophosphates-atom2 Cyclic-2-3-Ribonucleoside-Monophosphates-atom4" order="1"/> <bond id="Cyclic-2-3-Ribonucleoside-Monophosphates-bond3" atom…

CHEBI CHEBI:29035
structure data: InChI%3D1S%2FMn%2Fq%2B2

CHEBI CHEBI:16504
structure data: InChI%3D1S%2FC6H7O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-8%2C10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure148586
structure data: <atom id="TETRADECANOYL-COA-atom1" elementType="C" x2="93382.0" y2="-2708.0"/> <atom id="TETRADECANOYL-COA-atom2" elementType="O" x2="109759.0" y2="-27301.0"/> <atom id="TETRADECANOYL-COA-atom3" elementType="C" x2="101087.0" y2="-6555.0"/> <atom id="TETRADECANOYL-COA-atom4" elementType="C" x2="108273.0" y2="-1805.0"/> <atom id="TETRADECANOYL-COA-atom5" elementType="C" x2="115979.0" y2="-5653.0"/> <atom id="TETRADECANOYL-COA-atom6" elementType="C" x2="123163.0" y2="-903.0"/> <atom id="TETRADECANOYL-COA-atom7" elementType="C" x2="130870.0" y2="-4750.0"/> <atom id="TETRADECANOYL-COA-atom8" elementType="C" x2="138054.0" y2="0.0"/> <atom id="TETRADECANOYL-COA-atom9" elementType="C" x2="145761.0" y2="-3848.0"/> <atom id="TETRADECANOYL-COA-atom10" elementType="C" x2="146282.0" y2="-12444.0"/> <atom id="TETRADECANOYL-COA-atom11" elementType="C" x2="139096.0" y2="-17195.0"/> <atom id="TETRADECANOYL-COA-atom12" elementType="C" x2="131391.0" y2="-13347.0"/> <atom id="TETRADECANOYL-COA-atom13" elementType="C" x2="124206.0" y2="-18097.0"/> <atom id="TETRADECANOYL-COA-atom14" elementType="C" x2="116500.0" y2="-14249.0"/> <atom id="TETRADECANOYL-COA-atom15" elementType="S" x2="102279.0" y2="-15647.0"/> <atom id="TETRADECANOYL-COA-atom16" elementType="C" x2="109792.0" y2="-19053.0"/> <atom id="TETRADECANOYL-COA-atom17" elementType="C" x2="49734.0" y2="32082.0"/> <atom id="TETRADECANOYL-COA-atom18" elementType="O" x2="17699.0" y2="13124.0" formalCharge="-1"/> <atom id="TETRADECANOYL-COA-atom19" elementType="O" x2="52227.0" y2="46568.0"/> <atom id="TETRADECANOYL-COA-atom20" elementType="O" x2="31300.0" y2="-1820.0" formalCharge="-1"/> <atom id="TETRADECANOYL-COA-atom21" elementType="N" x2="57545.0" y2="29428.0"/> <atom id="TETRADECANOYL-COA-atom22" elementType="N" x2="65255.0" y2="42379.0"/> <atom id="TETRADECANOYL-COA-atom23" elementType="O" x2="20855.0" y2="24629.0"/> <atom id="TETRADECANOYL-COA-atom24" elementType="N" x2="68238.0" y2="21439.0"/> <atom id="TETRADECANOYL-COA-atom25"…

CHEBI CHEBI:48811
structure data: InChI%3D1S%2FC18H26ClN3%2Fc1-4-22%285-2%2912-6-7-14%283%2921-17-10-11-20-18-13-15%2819%298-9-16%2817%2918%2Fh8-11%2C13-14H%2C4-7%2C12H2%2C1-3H3%2C%28H%2C20%2C21%29%2Ft14-%2Fm1%2Fs1

CHEBI CHEBI:35291
structure data: InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb9-6%2B%2C12-11%2B%2C15-8%2B%2C16-14%2B

CHEBI CHEBI:16547
structure data: InChI%3D1S%2FC10H10O3%2Fc1-13-10-7-8%283-2-6-11%294-5-9%2810%2912%2Fh2-7%2C12H%2C1H3%2Fb3-2%2B

CHEBI CHEBI:29129
structure data: InChI%3D1S%2FC2H3ClO%2Fc3-2-1-4-2%2Fh2H%2C1H2

biopax-level3ChemicalStructure167149
structure data: <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom1" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom2" elementType="C" x2="8883.0" y2="-3418.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom4" elementType="C" x2="2013.0" y2="0.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom5" elementType="C" x2="846.0" y2="0.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom6" elementType="C" x2="2143.0" y2="-2646.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom7" elementType="C" x2="4405.0" y2="-3910.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom8" elementType="O" x2="0.0" y2="-583.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom9" elementType="C" x2="7524.0" y2="-3860.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom10" elementType="C" x2="6718.0" y2="-3688.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom11" elementType="C" x2="3573.0" y2="-996.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom12" elementType="C" x2="2889.0" y2="-3090.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom13" elementType="C" x2="6165.0" y2="-4301.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom14" elementType="C" x2="5103.0" y2="-2010.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom15" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom17" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom18" elementType="C" x2="3604.0" y2="-3503.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom19" elementType="C" x2="1429.0" y2="-2234.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom20" elementType="C" x2="8077.0" y2="-3246.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom21" elementType="C" x2="3604.0" y2="-1852.0"/> <atom id="44-DIMETHYL-824-CHOLESTADIENOL-atom22" elementType="C" x2="2889.0" y2="-2265.0"/> <…

biopax-level3ChemicalStructure141386
structure data: <atom id="CPD-574-atom1" elementType="C" x2="3338.0" y2="6577.0"/> <atom id="CPD-574-atom2" elementType="S" x2="2667.0" y2="7062.0"/> <atom id="CPD-574-atom3" elementType="C" x2="2003.0" y2="6585.0"/> <atom id="CPD-574-atom4" elementType="C" x2="3078.0" y2="5792.0"/> <atom id="CPD-574-atom5" elementType="C" x2="2250.0" y2="5795.0"/> <atom id="CPD-574-atom6" elementType="N" x2="1996.0" y2="5010.0"/> <atom id="CPD-574-atom7" elementType="C" x2="2654.0" y2="4524.0"/> <atom id="CPD-574-atom8" elementType="N" x2="3330.0" y2="5002.0"/> <atom id="CPD-574-atom9" elementType="O" x2="2645.0" y2="3700.0"/> <atom id="CPD-574-atom10" elementType="C" x2="4162.0" y2="6583.0"/> <atom id="CPD-574-atom11" elementType="C" x2="4877.0" y2="6992.0"/> <atom id="CPD-574-atom12" elementType="C" x2="5589.0" y2="6575.0"/> <atom id="CPD-574-atom13" elementType="C" x2="6305.0" y2="6984.0"/> <atom id="CPD-574-atom14" elementType="C" x2="7017.0" y2="6568.0"/> <atom id="CPD-574-atom15" elementType="N" x2="7009.0" y2="5744.0"/> <atom id="CPD-574-atom16" elementType="O" x2="7731.0" y2="6978.0"/> <bond id="CPD-574-bond1" atomRefs="CPD-574-atom13 CPD-574-atom14" order="1"/> <bond id="CPD-574-bond2" atomRefs="CPD-574-atom14 CPD-574-atom16" order="2"/> <bond id="CPD-574-bond3" atomRefs="CPD-574-atom14 CPD-574-atom15" order="1"/> <bond id="CPD-574-bond4" atomRefs="CPD-574-atom12 CPD-574-atom13" order="1"/> <bond id="CPD-574-bond5" atomRefs="CPD-574-atom11 CPD-574-atom12" order="1"/> <bond id="CPD-574-bond6" atomRefs="CPD-574-atom10 CPD-574-atom11" order="1"/> <bond id="CPD-574-bond7" atomRefs="CPD-574-atom1 CPD-574-atom10" order="1"/> <bond id="CPD-574-bond8" atomRefs="CPD-574-atom7 CPD-574-atom9" order="2"/> <bond id="CPD-574-bond9" atomRefs="CPD-574-atom4 CPD-574-atom8" order="1"/> <bond id="CPD-574-bond10" atomRefs="CPD-574-atom7 CPD-574-atom8" order="1"/> <bond id="CPD-574-bond11" atomRefs="CPD-574-atom6 CPD-574-atom7" order="1"/> <bond id="CPD-574-bond12" atomRefs="CPD-574-atom5 CPD-574-atom6" order…

CHEBI CHEBI:50508
structure data: InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3%2Fp%2B1

CHEBI CHEBI:60285
structure data: InChI%3D1S%2FC41H78NO8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40%2843%2947-37-39%2838-49-51%2845%2C46%2948-36-35-42%2950-41%2844%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh17-20%2C39H%2C3-16%2C21-38%2C42H2%2C1-2H3%2C%28H%2C45%2C46%29%2Fb19-17-%2C20-18-

CHEBI CHEBI:30825
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb10-9%2B

CHEBI CHEBI:8798
structure data: InChI%3D1S%2FC17H22N4O6%2Fc1-7-3-9-10%284-8%287%292%2921%285-11%2823%2914%2825%2912%2824%296-22%2915-13%2818-9%2916%2826%2920-17%2827%2919-15%2Fh3-4%2C11-14%2C18%2C22-25H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C26%2C27%29%2Ft11-%2C12%2B%2C13%3F%2C14-%2Fm0%2Fs1

CHEBI CHEBI:63705
structure data: InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18-%2C20-%2C22-%2Fm1%2Fs1

CHEBI CHEBI:20450
structure data: InChI%3D1S%2FC8H8O3%2Fc1-5-2-3-6%288%2810%2911%297%289%294-5%2Fh2-4%2C9H%2C1H3%2C%28H%2C10%2C11%29

CHEBI CHEBI:45725
structure data: InChI%3D1S%2FC10H26N4%2Fc11-5-3-9-13-7-1-2-8-14-10-4-6-12%2Fh13-14H%2C1-12H2%2Fp%2B4

CHEBI CHEBI:63590
structure data: InChI%3D1S%2FC20H32O3%2Fc1-2-19%2821%2917-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20%2822%2923%2Fh4-7%2C10-13%2C19%2C21H%2C2-3%2C8-9%2C14-18H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb6-4-%2C7-5-%2C12-10-%2C13-11-

CHEBI CHEBI:65041
structure data: InChI%3D1S%2FC16H20N2O%2Fc1-10%289-19%296-13-12-4-3-5-14-16%2812%2911%288-18-14%297-15%2813%2917-2%2Fh3-5%2C8-10%2C13%2C15%2C17-18H%2C6-7H2%2C1-2H3%2Ft10%3F%2C13-%2C15-%2Fm1%2Fs1

CHEBI CHEBI:19603
structure data: InChI%3D1S%2FC11H10O4%2Fc1-7-3-2-4-8%2810%287%2913%295-6-9%2812%2911%2814%2915%2Fh2-6%2C13H%2C1H3%2C%28H%2C14%2C15%29%2Fb6-5%2B

CHEBI CHEBI:16929
structure data: InChI%3D1S%2FC5H14NO6P%2Fc6-1-2-11-13%289%2C10%2912-4-5%288%293-7%2Fh5%2C7-8H%2C1-4%2C6H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:13705
structure data: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1

CHEBI CHEBI:17180
structure data: InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)/p-1

biopax-level3ChemicalStructure170378
structure data: <cml> <molecule id="CPD-8901" title="protein N6-methyl-L-lysine" formalCharge="1" dictRef="dictCPD-8901"> <atomArray> <atom id="CPD-8901-atom1" elementType="Protein" x2="-30053.0" y2="-6482.0"/> <atom id="CPD-8901-atom2" elementType="N" x2="-22908.0" y2="-10607.0"/> <atom id="CPD-8901-atom3" elementType="C" x2="-15764.0" y2="-6482.0"/> <atom id="CPD-8901-atom4" elementType="C" x2="-8619.0" y2="-10607.0"/> <atom id="CPD-8901-atom5" elementType="C" x2="-1475.0" y2="-6482.0"/> <atom id="CPD-8901-atom6" elementType="C" x2="5670.0" y2="-10607.0"/> <atom id="CPD-8901-atom7" elementType="C" x2="12815.0" y2="-6482.0"/> <atom id="CPD-8901-atom8" elementType="C" x2="19958.0" y2="-10607.0"/> <atom id="CPD-8901-atom9" elementType="N" x2="27103.0" y2="-6482.0" formalCharge="1"/> <atom id="CPD-8901-atom10" elementType="C" x2="34248.0" y2="-10607.0"/> <atom id="CPD-8901-atom11" elementType="O" x2="-15764.0" y2="1768.0"/> <atom id="CPD-8901-atom12" elementType="N" x2="-8619.0" y2="-18856.0"/> <atom id="CPD-8901-atom13" elementType="C" x2="-15764.0" y2="-22981.0"/> <atom id="CPD-8901-atom14" elementType="Protein" x2="-15764.0" y2="-31231.0"/> <atom id="CPD-8901-atom15" elementType="O" x2="-22908.0" y2="-18856.0"/> </atomArray> <bondArray> <bond id="CPD-8901-bond1" atomRefs="CPD-8901-atom1 CPD-8901-atom2" order="1"/> <bond id="CPD-8901-bond2" atomRefs="CPD-8901-atom2 CPD-8901-atom3" order="1"/> <bond id="CPD-8901-bond3" atomRefs="CPD-8901-atom3 CPD-8901-atom4" order="1"/> <bond id="CPD-8901-bond4" atomRefs="CPD-8901-atom4 CPD-8901-atom5" order="1"/> <bond id="CPD-8901-bond5" atomRefs="CPD-8901-atom5 CPD-8901-atom6" order="1"/> <bond id="CPD-8901-bond6" atomRefs="CPD-8901-atom6 CPD-8901-atom7" order="1"/> <bond id="CPD-8901-bond7" atomRefs="CPD-8901-atom7 CPD-8901-atom8" order="1"/> <bond id="CPD-8901-bond8" atomRefs="CPD-8901-atom8 CPD-8901-atom9" order="1"/> <bond id="CPD-8901-bond9" atomRefs="CPD-8901-atom9 CPD-8901-atom10" order="1"/> <bond id="CPD-8901-bond10" atomRefs="CPD-8901-…

CHEBI CHEBI:16763
structure data: InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1

biopax-level3ChemicalStructure164098
structure data: <atom id="CPD-11496-atom1" elementType="C" x2="-6482.0" y2="7071.0"/> <atom id="CPD-11496-atom2" elementType="C" x2="-13627.0" y2="11196.0"/> <atom id="CPD-11496-atom3" elementType="C" x2="-13627.0" y2="19447.0"/> <atom id="CPD-11496-atom4" elementType="C" x2="-6482.0" y2="23572.0"/> <atom id="CPD-11496-atom5" elementType="C" x2="663.0" y2="19447.0"/> <atom id="CPD-11496-atom6" elementType="C" x2="663.0" y2="11196.0"/> <atom id="CPD-11496-atom7" elementType="O" x2="-6482.0" y2="31822.0"/> <atom id="CPD-11496-atom8" elementType="O" x2="-20772.0" y2="23571.0"/> <atom id="CPD-11496-atom9" elementType="C" x2="-28012.0" y2="19616.0"/> <atom id="CPD-11496-atom10" elementType="C" x2="-6482.0" y2="-1179.0"/> <atom id="CPD-11496-atom11" elementType="C" x2="663.0" y2="-5304.0"/> <atom id="CPD-11496-atom12" elementType="C" x2="663.0" y2="-13554.0"/> <atom id="CPD-11496-atom13" elementType="O" x2="7807.0" y2="-17679.0"/> <atom id="CPD-11496-atom14" elementType="O" x2="-6482.0" y2="-17679.0"/> <atom id="CPD-11496-atom15" elementType="N" x2="7807.0" y2="-1179.0"/> <bond id="CPD-11496-bond1" atomRefs="CPD-11496-atom1 CPD-11496-atom2" order="1"/> <bond id="CPD-11496-bond2" atomRefs="CPD-11496-atom2 CPD-11496-atom3" order="2"/> <bond id="CPD-11496-bond3" atomRefs="CPD-11496-atom3 CPD-11496-atom4" order="1"/> <bond id="CPD-11496-bond4" atomRefs="CPD-11496-atom4 CPD-11496-atom5" order="2"/> <bond id="CPD-11496-bond5" atomRefs="CPD-11496-atom5 CPD-11496-atom6" order="1"/> <bond id="CPD-11496-bond6" atomRefs="CPD-11496-atom1 CPD-11496-atom6" order="2"/> <bond id="CPD-11496-bond7" atomRefs="CPD-11496-atom4 CPD-11496-atom7" order="1"/> <bond id="CPD-11496-bond8" atomRefs="CPD-11496-atom3 CPD-11496-atom8" order="1"/> <bond id="CPD-11496-bond9" atomRefs="CPD-11496-atom8 CPD-11496-atom9" order="1"/> <bond id="CPD-11496-bond10" atomRefs="CPD-11496-atom1 CPD-11496-atom10" order="1"/> <bond id="CPD-11496-bond11" atomRefs="CPD-11496-atom10 CPD-11496-atom11" order="1"/> <bond id="CPD-11496-bond12…

biopax-level3ChemicalStructure136264
structure data: <atom id="S-LACTOYL-GLUTATHIONE-atom1" elementType="O" x2="151380.0" y2="-356530.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom2" elementType="N" x2="212220.0" y2="-49520.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom3" elementType="C" x2="-356530.0" y2="-49520.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom4" elementType="C" x2="282960.0" y2="-90550.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom5" elementType="C" x2="-213630.0" y2="-49520.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom6" elementType="O" x2="-430100.0" y2="-91960.0" formalCharge="-1"/> <atom id="S-LACTOYL-GLUTATHIONE-atom7" elementType="N" x2="-285790.0" y2="-175430.0" formalCharge="1"/> <atom id="S-LACTOYL-GLUTATHIONE-atom8" elementType="C" x2="22640.0" y2="-430100.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom9" elementType="O" x2="428680.0" y2="-87720.0" formalCharge="-1"/> <atom id="S-LACTOYL-GLUTATHIONE-atom10" elementType="C" x2="353700.0" y2="-48100.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom11" elementType="C" x2="140070.0" y2="-90550.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom12" elementType="S" x2="66500.0" y2="-223540.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom13" elementType="N" x2="-1420.0" y2="-90550.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom14" elementType="C" x2="69320.0" y2="-49520.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom15" elementType="C" x2="-144310.0" y2="-90550.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom16" elementType="O" x2="140070.0" y2="-175430.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom17" elementType="C" x2="19810.0" y2="-291450.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom18" elementType="O" x2="-73570.0" y2="35370.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom19" elementType="C" x2="39620.0" y2="-141480.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom20" elementType="C" x2="-285790.0" y2="-90550.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom21" elementType="O" x2="353700.0" y2="36790.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom22" elementType="C" x2="66500.0" y2="-356530.0"/> <atom id="S-LACTOYL-GLUTATHIONE-atom23" elementType="O" x2=…

CHEBI CHEBI:32385
structure data: InChI%3D1S%2FC13H10O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2814%2915%2Fh1%2C5%2C7-11H%2C12H2%2C%28H%2C14%2C15%29%2Fb9-8-%2C11-10%2B

CHEBI CHEBI:17700
structure data: InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3

biopax-level3ChemicalStructure150734
structure data: <cml> <molecule id="KERATAN-6-SULFATE" title="keratan sulfate" formalCharge="-2" dictRef="dictKERATAN-6-SULFATE"> <atomArray> <atom id="KERATAN-6-SULFATE-atom1" elementType="O" x2="-2946.0" y2="-6188.0"/> <atom id="KERATAN-6-SULFATE-atom2" elementType="C" x2="-10091.0" y2="-2063.0"/> <atom id="KERATAN-6-SULFATE-atom3" elementType="C" x2="-10091.0" y2="6188.0"/> <atom id="KERATAN-6-SULFATE-atom4" elementType="C" x2="-2946.0" y2="10313.0"/> <atom id="KERATAN-6-SULFATE-atom5" elementType="C" x2="4198.0" y2="6188.0"/> <atom id="KERATAN-6-SULFATE-atom6" elementType="C" x2="4198.0" y2="-2063.0"/> <atom id="KERATAN-6-SULFATE-atom7" elementType="O" x2="-30347.0" y2="10902.0"/> <atom id="KERATAN-6-SULFATE-atom8" elementType="C" x2="-37492.0" y2="15027.0"/> <atom id="KERATAN-6-SULFATE-atom9" elementType="C" x2="-37492.0" y2="23276.0"/> <atom id="KERATAN-6-SULFATE-atom10" elementType="C" x2="-30347.0" y2="27401.0"/> <atom id="KERATAN-6-SULFATE-atom11" elementType="C" x2="-23203.0" y2="23276.0"/> <atom id="KERATAN-6-SULFATE-atom12" elementType="C" x2="-23203.0" y2="15027.0"/> <atom id="KERATAN-6-SULFATE-atom13" elementType="C" x2="-17235.0" y2="-6188.0"/> <atom id="KERATAN-6-SULFATE-atom14" elementType="O" x2="-15925.0" y2="12021.0"/> <atom id="KERATAN-6-SULFATE-atom15" elementType="O" x2="-16059.0" y2="27401.0"/> <atom id="KERATAN-6-SULFATE-atom16" elementType="O" x2="-30347.0" y2="35651.0"/> <atom id="KERATAN-6-SULFATE-atom17" elementType="O" x2="-44637.0" y2="27401.0"/> <atom id="KERATAN-6-SULFATE-atom18" elementType="C" x2="-44504.0" y2="9488.0"/> <atom id="KERATAN-6-SULFATE-atom19" elementType="R1" x2="-51781.0" y2="31527.0"/> <atom id="KERATAN-6-SULFATE-atom20" elementType="O" x2="-2946.0" y2="18562.0"/> <atom id="KERATAN-6-SULFATE-atom21" elementType="N" x2="11343.0" y2="10313.0"/> <atom id="KERATAN-6-SULFATE-atom22" elementType="C" x2="11343.0" y2="18562.0"/> <atom id="KERATAN-6-SULFATE-atom23" elementType="O" x2="18487.0" y2="22687.0"/> <atom id="KERATAN-6-SULFATE-atom…

biopax-level3ChemicalStructure170422
structure data: <atom id="CODEINE-atom1" elementType="C" x2="-193740.0" y2="-260620.0"/> <atom id="CODEINE-atom2" elementType="C" x2="-265190.0" y2="-219370.0"/> <atom id="CODEINE-atom3" elementType="C" x2="-122300.0" y2="-219370.0"/> <atom id="CODEINE-atom4" elementType="C" x2="-122300.0" y2="-136870.0"/> <atom id="CODEINE-atom5" elementType="C" x2="-193740.0" y2="-95620.0"/> <atom id="CODEINE-atom6" elementType="C" x2="-50860.0" y2="-95620.0"/> <atom id="CODEINE-atom7" elementType="C" x2="-265190.0" y2="28130.0"/> <atom id="CODEINE-atom8" elementType="C" x2="-265190.0" y2="110630.0"/> <atom id="CODEINE-atom9" elementType="C" x2="-193740.0" y2="151880.0"/> <atom id="CODEINE-atom10" elementType="C" x2="-122300.0" y2="110630.0"/> <atom id="CODEINE-atom11" elementType="C" x2="-265190.0" y2="-136870.0"/> <atom id="CODEINE-atom12" elementType="O" x2="-329770.0" y2="-59790.0"/> <atom id="CODEINE-atom13" elementType="C" x2="-122300.0" y2="28130.0"/> <atom id="CODEINE-atom14" elementType="C" x2="-408080.0" y2="-219370.0"/> <atom id="CODEINE-atom15" elementType="O" x2="-336630.0" y2="-260620.0"/> <atom id="CODEINE-atom16" elementType="O" x2="-336630.0" y2="151880.0"/> <atom id="CODEINE-atom17" elementType="C" x2="-193740.0" y2="-13120.0"/> <atom id="CODEINE-atom18" elementType="C" x2="-135410.0" y2="-71460.0"/> <atom id="CODEINE-atom19" elementType="C" x2="-760.0" y2="-73440.0"/> <atom id="CODEINE-atom20" elementType="N" x2="48720.0" y2="12500.0" formalCharge="1"/> <atom id="CODEINE-atom21" elementType="C" x2="70810.0" y2="93580.0"/> <atom id="CODEINE-atom22" elementType="C" x2="-50860.0" y2="-13120.0"/> <bond id="CODEINE-bond1" atomRefs="CODEINE-atom2 CODEINE-atom1" order="2"/> <bond id="CODEINE-bond2" atomRefs="CODEINE-atom1 CODEINE-atom3" order="1"/> <bond id="CODEINE-bond3" atomRefs="CODEINE-atom11 CODEINE-atom2" order="1"/> <bond id="CODEINE-bond4" atomRefs="CODEINE-atom5 CODEINE-atom11" order="2"/> <bond id="CODEINE-bond5" atomRefs="CODEINE-atom3 CODEINE-atom4" order="2"/> <bond id="…

CHEBI CHEBI:17663
structure data: InChI%3D1S%2FC8H14O5%2Fc1-5%289%293-8%2812%2913-6%282%294-7%2810%2911%2Fh5-6%2C9H%2C3-4H2%2C1-2H3%2C%28H%2C10%2C11%29%2Ft5-%2C6-%2Fm1%2Fs1

CHEBI CHEBI:61238
structure data: InChI%3D1S%2FC7H15NO%2Fc9-7-6-8-4-2-1-3-5-8%2Fh9H%2C1-7H2

CHEBI CHEBI:17797
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-3%287%295%289%294%288%292-13-14%2810%2C11%2912%2Fh1%2C3-5%2C7-9H%2C2H2%2C%28H2%2C10%2C11%2C12%29%2Ft3-%2C4%2B%2C5-%2Fm0%2Fs1

CHEBI CHEBI:20794
structure data: InChI%3D1S%2FC11H15N5O5%2Fc1-15-3-16%288-5%2815%299%2820%2914-11%2812%2913-8%2910-7%2819%296%2818%294%282-17%2921-10%2Fh3-4%2C6-7%2C10%2C17-19H%2C2H2%2C1H3%2C%28H2-%2C12%2C13%2C14%2C20%29%2Fp%2B1%2Ft4-%2C6-%2C7-%2C10-%2Fm1%2Fs1

biopax-level3ChemicalStructure141124
structure data: <atom id="CPD6666-4-atom1" elementType="C" x2="33125.0" y2="11750.0"/> <atom id="CPD6666-4-atom2" elementType="C" x2="40270.0" y2="7625.0"/> <atom id="CPD6666-4-atom3" elementType="C" x2="40270.0" y2="-625.0"/> <atom id="CPD6666-4-atom4" elementType="C" x2="47414.0" y2="-4750.0"/> <atom id="CPD6666-4-atom5" elementType="C" x2="47414.0" y2="-13000.0"/> <atom id="CPD6666-4-atom6" elementType="C" x2="54559.0" y2="-17125.0"/> <atom id="CPD6666-4-atom7" elementType="C" x2="54559.0" y2="-25375.0"/> <atom id="CPD6666-4-atom8" elementType="C" x2="61704.0" y2="-29500.0"/> <atom id="CPD6666-4-atom9" elementType="C" x2="68849.0" y2="-41875.0"/> <atom id="CPD6666-4-atom10" elementType="C" x2="68849.0" y2="-50125.0"/> <atom id="CPD6666-4-atom11" elementType="O" x2="75993.0" y2="-54250.0"/> <atom id="CPD6666-4-atom12" elementType="O" x2="68849.0" y2="-25375.0"/> <atom id="CPD6666-4-atom13" elementType="N" x2="61704.0" y2="-37750.0"/> <atom id="CPD6666-4-atom14" elementType="C" x2="18836.0" y2="20000.0"/> <atom id="CPD6666-4-atom15" elementType="C" x2="4546.0" y2="11750.0"/> <atom id="CPD6666-4-atom16" elementType="C" x2="-2599.0" y2="7625.0"/> <atom id="CPD6666-4-atom17" elementType="C" x2="-2599.0" y2="-625.0"/> <atom id="CPD6666-4-atom18" elementType="C" x2="-9743.0" y2="-4750.0"/> <atom id="CPD6666-4-atom19" elementType="C" x2="-9743.0" y2="-13000.0"/> <atom id="CPD6666-4-atom20" elementType="C" x2="4546.0" y2="20000.0"/> <atom id="CPD6666-4-atom21" elementType="C" x2="11691.0" y2="24125.0"/> <atom id="CPD6666-4-atom22" elementType="C" x2="25980.0" y2="24125.0"/> <atom id="CPD6666-4-atom23" elementType="C" x2="33125.0" y2="20000.0"/> <bond id="CPD6666-4-bond1" atomRefs="CPD6666-4-atom18 CPD6666-4-atom19" order="1"/> <bond id="CPD6666-4-bond2" atomRefs="CPD6666-4-atom17 CPD6666-4-atom18" order="1"/> <bond id="CPD6666-4-bond3" atomRefs="CPD6666-4-atom16 CPD6666-4-atom17" order="1"/> <bond id="CPD6666-4-bond4" atomRefs="CPD6666-4-atom15 CPD6666-4-atom16" order="1"/> <bond id="CPD…

CHEBI CHEBI:17311
structure data: InChI%3D1S%2FC9H20N2O2%2Fc1-11%282%2C3%297-5-4-6-8%2810%299%2812%2913%2Fh8H%2C4-7%2C10H2%2C1-3H3%2Fp%2B1%2Ft8-%2Fm0%2Fs1

CHEBI CHEBI:58100
structure data: InChI%3D1S%2FC9H20N2O2%2Fc1-11%282%2C3%297-5-4-6-8%2810%299%2812%2913%2Fh8H%2C4-7%2C10H2%2C1-3H3%2Fp%2B1%2Ft8-%2Fm0%2Fs1

CHEBI CHEBI:62417
structure data: InChI%3D1S%2FC30H52O2%2Fc1-21%282%2911-9-12-22%283%2913-10-18-30%288%2C32%2925-15-14-24-28%286%2920-17-26%2831%2927%284%2C5%2923%2828%2916-19-29%2824%2C25%297%2Fh11%2C13%2C23-26%2C31-32H%2C9-10%2C12%2C14-20H2%2C1-8H3%2Fb22-13%2B%2Ft23-%2C24%2B%2C25%2B%2C26-%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

CHEBI CHEBI:63466
structure data: InChI%3D1S%2FC30H50O%2Fc1-20-13-15-29%287%2918-17-27%283%2C4%2919-24%2829%2922%2820%2910-11-23-21%282%299-12-25-28%285%2C6%2926%2831%2914-16-30%2823%2C25%298%2Fh9%2C23-26%2C31H%2C10-19H2%2C1-8H3%2Ft23-%2C24-%2C25-%2C26-%2C29-%2C30%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure174072
structure data: <atom id="CPD1G-83-atom1" elementType="O" x2="13724.0" y2="7218.0"/> <atom id="CPD1G-83-atom2" elementType="C" x2="13008.0" y2="7630.0"/> <atom id="CPD1G-83-atom3" elementType="C" x2="13008.0" y2="8456.0"/> <atom id="CPD1G-83-atom4" elementType="O" x2="13723.0" y2="8868.0"/> <atom id="CPD1G-83-atom5" elementType="C" x2="12294.0" y2="8869.0"/> <atom id="CPD1G-83-atom6" elementType="O" x2="12294.0" y2="9694.0"/> <atom id="CPD1G-83-atom7" elementType="O" x2="11579.0" y2="8456.0"/> <atom id="CPD1G-83-atom8" elementType="C" x2="11579.0" y2="7630.0"/> <atom id="CPD1G-83-atom9" elementType="C" x2="12294.0" y2="7218.0"/> <atom id="CPD1G-83-atom10" elementType="C" x2="10865.0" y2="7218.0"/> <atom id="CPD1G-83-atom11" elementType="O" x2="10150.0" y2="7630.0"/> <atom id="CPD1G-83-atom12" elementType="C" x2="9436.0" y2="7218.0"/> <atom id="CPD1G-83-atom13" elementType="O" x2="9436.0" y2="6393.0"/> <atom id="CPD1G-83-atom14" elementType="C" x2="8721.0" y2="7630.0"/> <atom id="CPD1G-83-atom15" elementType="C" x2="8006.0" y2="7218.0"/> <atom id="CPD1G-83-atom16" elementType="C" x2="7291.0" y2="7630.0"/> <atom id="CPD1G-83-atom17" elementType="C" x2="6577.0" y2="7218.0"/> <atom id="CPD1G-83-atom18" elementType="C" x2="5863.0" y2="7630.0"/> <atom id="CPD1G-83-atom19" elementType="C" x2="5148.0" y2="7218.0"/> <atom id="CPD1G-83-atom20" elementType="C" x2="4434.0" y2="7630.0"/> <atom id="CPD1G-83-atom21" elementType="C" x2="3719.0" y2="7218.0"/> <atom id="CPD1G-83-atom22" elementType="C" x2="3005.0" y2="7630.0"/> <atom id="CPD1G-83-atom23" elementType="C" x2="2289.0" y2="7218.0"/> <atom id="CPD1G-83-atom24" elementType="O" x2="8006.0" y2="6393.0"/> <atom id="CPD1G-83-atom25" elementType="C" x2="1575.0" y2="7630.0"/> <atom id="CPD1G-83-atom26" elementType="C" x2="860.0" y2="7218.0"/> <atom id="CPD1G-83-atom27" elementType="C" x2="860.0" y2="6393.0"/> <atom id="CPD1G-83-atom28" elementType="C" x2="1575.0" y2="5980.0"/> <atom id="CPD1G-83-atom29" elementType="C" x2="2289.0" y2="6393.0"/>…

biopax-level3ChemicalStructure162141
structure data: <atom id="CPD-10690-atom1" elementType="C" x2="-40071.0" y2="-9723.0"/> <atom id="CPD-10690-atom2" elementType="C" x2="-32927.0" y2="-13848.0"/> <atom id="CPD-10690-atom3" elementType="N" x2="-25782.0" y2="-9723.0"/> <atom id="CPD-10690-atom4" elementType="C" x2="-18637.0" y2="-13848.0"/> <atom id="CPD-10690-atom5" elementType="C" x2="-11493.0" y2="-9723.0"/> <atom id="CPD-10690-atom6" elementType="C" x2="-4348.0" y2="-13848.0"/> <atom id="CPD-10690-atom7" elementType="N" x2="2797.0" y2="-9723.0"/> <atom id="CPD-10690-atom8" elementType="C" x2="9942.0" y2="-13848.0"/> <atom id="CPD-10690-atom9" elementType="C" x2="17086.0" y2="-9723.0"/> <atom id="CPD-10690-atom10" elementType="C" x2="24231.0" y2="-13848.0"/> <atom id="CPD-10690-atom11" elementType="N" x2="31376.0" y2="-9723.0"/> <atom id="CPD-10690-atom12" elementType="C" x2="38520.0" y2="-13848.0"/> <atom id="CPD-10690-atom13" elementType="C" x2="45665.0" y2="-9723.0"/> <atom id="CPD-10690-atom14" elementType="C" x2="52810.0" y2="-13848.0"/> <atom id="CPD-10690-atom15" elementType="N" x2="59955.0" y2="-9723.0"/> <atom id="CPD-10690-atom16" elementType="C" x2="67099.0" y2="-13848.0"/> <atom id="CPD-10690-atom17" elementType="C" x2="74244.0" y2="-9723.0"/> <bond id="CPD-10690-bond1" atomRefs="CPD-10690-atom1 CPD-10690-atom2" order="1"/> <bond id="CPD-10690-bond2" atomRefs="CPD-10690-atom2 CPD-10690-atom3" order="1"/> <bond id="CPD-10690-bond3" atomRefs="CPD-10690-atom3 CPD-10690-atom4" order="1"/> <bond id="CPD-10690-bond4" atomRefs="CPD-10690-atom4 CPD-10690-atom5" order="1"/> <bond id="CPD-10690-bond5" atomRefs="CPD-10690-atom5 CPD-10690-atom6" order="1"/> <bond id="CPD-10690-bond6" atomRefs="CPD-10690-atom6 CPD-10690-atom7" order="1"/> <bond id="CPD-10690-bond7" atomRefs="CPD-10690-atom7 CPD-10690-atom8" order="1"/> <bond id="CPD-10690-bond8" atomRefs="CPD-10690-atom8 CPD-10690-atom9" order="1"/> <bond id="CPD-10690-bond9" atomRefs="CPD-10690-atom9 CPD-10690-atom10" order="1"/> <bond id="CPD-10690-bond10" atomRef…

biopax-level3ChemicalStructure143828
structure data: <atom id="GLUCOSAMINE-atom1" elementType="O" x2="-5801.0" y2="-7064.0"/> <atom id="GLUCOSAMINE-atom2" elementType="C" x2="-12945.0" y2="-2939.0"/> <atom id="GLUCOSAMINE-atom3" elementType="C" x2="-12945.0" y2="5312.0"/> <atom id="GLUCOSAMINE-atom4" elementType="C" x2="-5801.0" y2="9437.0"/> <atom id="GLUCOSAMINE-atom5" elementType="C" x2="1344.0" y2="5312.0"/> <atom id="GLUCOSAMINE-atom6" elementType="C" x2="1344.0" y2="-2939.0"/> <atom id="GLUCOSAMINE-atom7" elementType="O" x2="-20088.0" y2="9437.0"/> <atom id="GLUCOSAMINE-atom8" elementType="C" x2="-20088.0" y2="-7064.0"/> <atom id="GLUCOSAMINE-atom9" elementType="O" x2="8489.0" y2="-7064.0"/> <atom id="GLUCOSAMINE-atom10" elementType="O" x2="-5801.0" y2="17686.0"/> <atom id="GLUCOSAMINE-atom11" elementType="N" x2="8489.0" y2="9437.0"/> <atom id="GLUCOSAMINE-atom12" elementType="O" x2="-27233.0" y2="-2939.0"/> <bond id="GLUCOSAMINE-bond1" atomRefs="GLUCOSAMINE-atom1 GLUCOSAMINE-atom2" order="1"/> <bond id="GLUCOSAMINE-bond2" atomRefs="GLUCOSAMINE-atom2 GLUCOSAMINE-atom3" order="1"/> <bond id="GLUCOSAMINE-bond3" atomRefs="GLUCOSAMINE-atom3 GLUCOSAMINE-atom4" order="1"/> <bond id="GLUCOSAMINE-bond4" atomRefs="GLUCOSAMINE-atom4 GLUCOSAMINE-atom5" order="1"/> <bond id="GLUCOSAMINE-bond5" atomRefs="GLUCOSAMINE-atom5 GLUCOSAMINE-atom6" order="1"/> <bond id="GLUCOSAMINE-bond6" atomRefs="GLUCOSAMINE-atom1 GLUCOSAMINE-atom6" order="1"/> <bond id="GLUCOSAMINE-bond7" atomRefs="GLUCOSAMINE-atom3 GLUCOSAMINE-atom7" order="1"/> <bond id="GLUCOSAMINE-bond8" atomRefs="GLUCOSAMINE-atom2 GLUCOSAMINE-atom8" order="1"/> <bond id="GLUCOSAMINE-bond9" atomRefs="GLUCOSAMINE-atom6 GLUCOSAMINE-atom9" order="1"/> <bond id="GLUCOSAMINE-bond10" atomRefs="GLUCOSAMINE-atom4 GLUCOSAMINE-atom10" order="1"/> <bond id="GLUCOSAMINE-bond11" atomRefs="GLUCOSAMINE-atom5 GLUCOSAMINE-atom11" order="1"/> <bond id="GLUCOSAMINE-bond12" atomRefs="GLUCOSAMINE-atom8 GLUCOSAMINE-atom12" order="1"/> <formula concise="H 13 N 1 C 6 O 5"/> 179.172 C(O)C1(C(O)C(O)C(…

CHEBI CHEBI:41321
structure data: InChI%3D1S%2FC27H46O4S%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2831-32%2828%2C29%2930%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh9%2C18-19%2C21-25H%2C6-8%2C10-17H2%2C1-5H3%2C%28H%2C28%2C29%2C30%29%2Ft19-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:44887
structure data: InChI%3D1S%2FC41H82NO8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40%2843%2947-37-39%2838-49-51%2845%2C46%2948-36-35-42%2950-41%2844%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh39H%2C3-38%2C42H2%2C1-2H3%2C%28H%2C45%2C46%29%2Fp%2B1%2Ft39-%2Fm0%2Fs1

CHEBI CHEBI:327995
structure data: InChI%3D1S%2FC8H11NO%2Fc9-6-5-7-1-3-8%2810%294-2-7%2Fh1-4%2C10H%2C5-6%2C9H2%2Fp%2B1

CHEBI CHEBI:36704
structure data: InChI%3D1S%2FC14H16N4%2Fc1-9%282%297-18-8-16-12-13%2818%2910-5-3-4-6-11%2810%2917-14%2812%2915%2Fh3-6%2C8-9H%2C7H2%2C1-2H3%2C%28H2%2C15%2C17%29

biopax-level3ChemicalStructure170170
structure data: <atom id="CPD-7240-atom1" elementType="C" x2="-31527.0" y2="6187.0"/> <atom id="CPD-7240-atom2" elementType="C" x2="-38671.0" y2="10312.0"/> <atom id="CPD-7240-atom3" elementType="C" x2="-38671.0" y2="18563.0"/> <atom id="CPD-7240-atom4" elementType="C" x2="-31527.0" y2="22688.0"/> <atom id="CPD-7240-atom5" elementType="C" x2="-24382.0" y2="18563.0"/> <atom id="CPD-7240-atom6" elementType="C" x2="-24382.0" y2="10312.0"/> <atom id="CPD-7240-atom7" elementType="C" x2="-17237.0" y2="6187.0"/> <atom id="CPD-7240-atom8" elementType="C" x2="-17237.0" y2="22688.0"/> <atom id="CPD-7240-atom9" elementType="C" x2="-10093.0" y2="18563.0"/> <atom id="CPD-7240-atom10" elementType="C" x2="-10093.0" y2="10312.0"/> <atom id="CPD-7240-atom11" elementType="C" x2="-10093.0" y2="-6188.0"/> <atom id="CPD-7240-atom12" elementType="C" x2="-17237.0" y2="-2063.0"/> <atom id="CPD-7240-atom13" elementType="C" x2="4898.0" y2="-4612.0"/> <atom id="CPD-7240-atom14" elementType="C" x2="-2948.0" y2="-2063.0"/> <atom id="CPD-7240-atom15" elementType="C" x2="-2948.0" y2="6187.0"/> <atom id="CPD-7240-atom16" elementType="C" x2="4898.0" y2="8737.0"/> <atom id="CPD-7240-atom17" elementType="C" x2="9747.0" y2="2063.0"/> <atom id="CPD-7240-atom18" elementType="C" x2="4889.0" y2="-12862.0"/> <atom id="CPD-7240-atom19" elementType="C" x2="12034.0" y2="-16987.0"/> <atom id="CPD-7240-atom20" elementType="C" x2="19178.0" y2="-12862.0"/> <atom id="CPD-7240-atom21" elementType="C" x2="26323.0" y2="-16987.0"/> <atom id="CPD-7240-atom22" elementType="C" x2="33468.0" y2="-12862.0"/> <atom id="CPD-7240-atom23" elementType="C" x2="40612.0" y2="-16987.0"/> <atom id="CPD-7240-atom24" elementType="C" x2="33468.0" y2="-4612.0"/> <atom id="CPD-7240-atom25" elementType="O" x2="26323.0" y2="-25237.0"/> <atom id="CPD-7240-atom26" elementType="C" x2="-2258.0" y2="-16983.0"/> <atom id="CPD-7240-atom27" elementType="C" x2="-3352.0" y2="-10304.0"/> <atom id="CPD-7240-atom28" elementType="C" x2="-24706.0" y2="2068.0"/> <atom id=…

CHEBI CHEBI:3576
structure data: InChI%3D1S%2FC16H20N2O%2Fc1-10%289-19%296-13-12-4-3-5-14-16%2812%2911%288-18-14%297-15%2813%2917-2%2Fh3-6%2C8%2C13%2C15%2C17-19H%2C7%2C9H2%2C1-2H3%2Fb10-6%2B%2Ft13-%2C15-%2Fm1%2Fs1

CHEBI CHEBI:28837
structure data: InChI%3D1S%2FC8H16O2%2Fc1-2-3-4-5-6-7-8%289%2910%2Fh2-7H2%2C1H3%2C%28H%2C9%2C10%29

CHEBI CHEBI:53758
structure data: InChI%3D1S%2FC9H13NO2%2Fc11-7-9%2812%296-10-8-4-2-1-3-5-8%2Fh1-5%2C9-12H%2C6-7H2

CHEBI CHEBI:4024
structure data: InChI%3D1S%2FC17H25NO3%2Fc1-18%282%2912-13-21-16%2819%2915%2814-8-4-3-5-9-14%2917%2820%2910-6-7-11-17%2Fh3-5%2C8-9%2C15%2C20H%2C6-7%2C10-13H2%2C1-2H3

biopax-level3ChemicalStructure139688
structure data: <atom id="CPD0-1137-atom1" elementType="O" x2="1158.0" y2="2149.0"/> <atom id="CPD0-1137-atom2" elementType="P" x2="1238.0" y2="2149.0"/> <atom id="CPD0-1137-atom3" elementType="O" x2="1325.0" y2="2149.0"/> <atom id="CPD0-1137-atom4" elementType="O" x2="1238.0" y2="2065.0" formalCharge="-1"/> <atom id="CPD0-1137-atom5" elementType="O" x2="1236.0" y2="2229.0"/> <atom id="CPD0-1137-atom6" elementType="P" x2="1406.0" y2="2149.0"/> <atom id="CPD0-1137-atom7" elementType="O" x2="1489.0" y2="2149.0"/> <atom id="CPD0-1137-atom8" elementType="O" x2="1406.0" y2="2065.0" formalCharge="-1"/> <atom id="CPD0-1137-atom9" elementType="O" x2="1406.0" y2="2229.0"/> <atom id="CPD0-1137-atom10" elementType="P" x2="1570.0" y2="2149.0"/> <atom id="CPD0-1137-atom11" elementType="O" x2="1652.0" y2="2149.0"/> <atom id="CPD0-1137-atom12" elementType="O" x2="1570.0" y2="2065.0" formalCharge="-1"/> <atom id="CPD0-1137-atom13" elementType="O" x2="1570.0" y2="2229.0"/> <atom id="CPD0-1137-atom14" elementType="P" x2="1734.0" y2="2149.0"/> <atom id="CPD0-1137-atom15" elementType="O" x2="1817.0" y2="2149.0"/> <atom id="CPD0-1137-atom16" elementType="O" x2="1734.0" y2="2065.0" formalCharge="-1"/> <atom id="CPD0-1137-atom17" elementType="O" x2="1734.0" y2="2229.0"/> <atom id="CPD0-1137-atom18" elementType="C" x2="1874.0" y2="2091.0"/> <atom id="CPD0-1137-atom19" elementType="C" x2="1954.0" y2="2113.0"/> <atom id="CPD0-1137-atom20" elementType="O" x2="2019.0" y2="2062.0"/> <atom id="CPD0-1137-atom21" elementType="C" x2="1983.0" y2="2191.0"/> <atom id="CPD0-1137-atom22" elementType="C" x2="2086.0" y2="2108.0"/> <atom id="CPD0-1137-atom23" elementType="C" x2="2064.0" y2="2189.0"/> <atom id="CPD0-1137-atom24" elementType="O" x2="1931.0" y2="2264.0"/> <atom id="CPD0-1137-atom25" elementType="N" x2="2135.0" y2="1984.0"/> <atom id="CPD0-1137-atom26" elementType="O" x2="2124.0" y2="2274.0"/> <atom id="CPD0-1137-atom27" elementType="C" x2="2056.0" y2="1959.0"/> <atom id="CPD0-1137-atom28" elementType="C" x2=…

CHEBI CHEBI:60286
structure data: InChI%3D1S%2FC39H76NO8P%2Fc1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39%2842%2948-37%2836-47-49%2843%2C44%2946-34-33-40%2935-45-38%2841%2931-29-27-25-23-21-19-16-14-12-10-8-6-4-2%2Fh17-18%2C37H%2C3-16%2C19-36%2C40H2%2C1-2H3%2C%28H%2C43%2C44%29%2Fb18-17-

biopax-level3ChemicalStructure160241
structure data: <cml> <molecule id="CPD-13063" title="N-acetyl-beta-D-galactosaminyl-(1-3)-beta-D-galactosyl-(1-4)-beta-D-glucosyl-(11)-ceramide" formalCharge="0" dictRef="dictCPD-13063"> <atomArray> <atom id="CPD-13063-atom1" elementType="C" x2="23158.0" y2="-8806.0"/> <atom id="CPD-13063-atom2" elementType="C" x2="5683.0" y2="-2617.0"/> <atom id="CPD-13063-atom3" elementType="O" x2="4638.0" y2="-1727.0"/> <atom id="CPD-13063-atom4" elementType="O" x2="12572.0" y2="-11065.0"/> <atom id="CPD-13063-atom5" elementType="O" x2="1071.0" y2="-5087.0"/> <atom id="CPD-13063-atom6" elementType="O" x2="3100.0" y2="-7159.0"/> <atom id="CPD-13063-atom7" elementType="O" x2="6948.0" y2="-8262.0"/> <atom id="CPD-13063-atom8" elementType="O" x2="12457.0" y2="-7668.0"/> <atom id="CPD-13063-atom9" elementType="O" x2="1449.0" y2="-3740.0"/> <atom id="CPD-13063-atom10" elementType="O" x2="10577.0" y2="-7305.0"/> <atom id="CPD-13063-atom11" elementType="O" x2="2629.0" y2="-2587.0"/> <atom id="CPD-13063-atom12" elementType="O" x2="9158.0" y2="-6382.0"/> <atom id="CPD-13063-atom13" elementType="O" x2="3470.0" y2="-5796.0"/> <atom id="CPD-13063-atom14" elementType="O" x2="6225.0" y2="-5058.0"/> <atom id="CPD-13063-atom15" elementType="R" x2="13280.0" y2="-9845.0"/> <atom id="CPD-13063-atom16" elementType="C" x2="13874.0" y2="-8525.0"/> <atom id="CPD-13063-atom17" elementType="C" x2="13165.0" y2="-8954.0"/> <atom id="CPD-13063-atom18" elementType="C" x2="22434.0" y2="-8393.0"/> <atom id="CPD-13063-atom19" elementType="C" x2="14584.0" y2="-8954.0"/> <atom id="CPD-13063-atom20" elementType="C" x2="1856.0" y2="-5339.0"/> <atom id="CPD-13063-atom21" elementType="C" x2="3897.0" y2="-7389.0"/> <atom id="CPD-13063-atom22" elementType="C" x2="7624.0" y2="-8740.0"/> <atom id="CPD-13063-atom23" elementType="C" x2="21723.0" y2="-8822.0"/> <atom id="CPD-13063-atom24" elementType="C" x2="15293.0" y2="-8525.0"/> <atom id="CPD-13063-atom25" elementType="C" x2="20998.0" y2="-8426.0"/> <atom id="CPD-13063-atom26" elementTy…

CHEBI CHEBI:53027
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-9-13-18%2821%2914-10-7-8-11-15-19%2822%2916-12-17-20%2823%2924%2Fh6-11%2C14-15%2C18-19%2C21-22H%2C2-5%2C12-13%2C16-17H2%2C1H3%2C%28H%2C23%2C24%29%2Fb8-7-%2C9-6-%2C14-10%2B%2C15-11%2B%2Ft18-%2C19-%2Fm1%2Fs1

CHEBI CHEBI:115239
structure data: InChI%3D1S%2FC7H13NO%2Fc9-7-5-8-3-1-6%287%292-4-8%2Fh6-7%2C9H%2C1-5H2

biopax-level3ChemicalStructure158648
structure data: <cml> <molecule id="a-long-chain-alcohol" title="a long-chain alcohol" formalCharge="0" dictRef="dicta-long-chain-alcohol"> <atomArray> <atom id="a-long-chain-alcohol-atom1" elementType="O" x2="718.0" y2="-1189.0"/> <atom id="a-long-chain-alcohol-atom2" elementType="R" x2="0.0" y2="0.0"/> <atom id="a-long-chain-alcohol-atom3" elementType="C" x2="714.0" y2="-412.0"/> </atomArray> <bondArray> <bond id="a-long-chain-alcohol-bond1" atomRefs="a-long-chain-alcohol-atom1 a-long-chain-alcohol-atom3" order="1"/> <bond id="a-long-chain-alcohol-bond2" atomRefs="a-long-chain-alcohol-atom2 a-long-chain-alcohol-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])O</string> </molecule> </cml>

CHEBI CHEBI:17898
structure data: InChI%3D1S%2FC20H28O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C15H%2C7%2C10%2C14H2%2C1-5H3%2Fb9-6%2B%2C12-11%2B%2C16-8%2B%2C17-13%2B

CHEBI CHEBI:62606
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29%2Fb6-5%2B

CHEBI CHEBI:29002
structure data: InChI%3D1S%2FC3H8O2%2Fc1-3%285%292-4%2Fh3-5H%2C2H2%2C1H3%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:58409
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-2-3%288%294%289%295%2810%296%2814-2%2915-16%2811%2C12%2913%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:4530
structure data: InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3

CHEBI CHEBI:16580
structure data: InChI%3D1S%2FC12H11NO%2Fc14-13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9%2C13-14H

CHEBI CHEBI:34648
structure data: InChI%3D1S%2FC10H11ClO3%2Fc1-10%282%2C9%2812%2913%2914-8-5-3-7%2811%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure174439
structure data: <cml> <molecule id="Sphingoid-1-phosphates" title="a sphingoid 1-phosphate" formalCharge="-2" dictRef="dictSphingoid-1-phosphates"> <atomArray> <atom id="Sphingoid-1-phosphates-atom1" elementType="O" x2="-8043.0" y2="-2858.0"/> <atom id="Sphingoid-1-phosphates-atom2" elementType="C" x2="-7328.0" y2="-3270.0"/> <atom id="Sphingoid-1-phosphates-atom3" elementType="C" x2="-6614.0" y2="-2858.0"/> <atom id="Sphingoid-1-phosphates-atom4" elementType="C" x2="-5899.0" y2="-3270.0"/> <atom id="Sphingoid-1-phosphates-atom5" elementType="R" x2="-5185.0" y2="-2858.0"/> <atom id="Sphingoid-1-phosphates-atom6" elementType="O" x2="-5899.0" y2="-4096.0"/> <atom id="Sphingoid-1-phosphates-atom7" elementType="N" x2="-6614.0" y2="-2033.0"/> <atom id="Sphingoid-1-phosphates-atom8" elementType="P" x2="-8757.0" y2="-3271.0"/> <atom id="Sphingoid-1-phosphates-atom9" elementType="O" x2="-9501.0" y2="-3280.0" formalCharge="-1"/> <atom id="Sphingoid-1-phosphates-atom10" elementType="O" x2="-8756.0" y2="-4096.0"/> <atom id="Sphingoid-1-phosphates-atom11" elementType="O" x2="-8757.0" y2="-2446.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="Sphingoid-1-phosphates-bond1" atomRefs="Sphingoid-1-phosphates-atom1 Sphingoid-1-phosphates-atom2" order="1"/> <bond id="Sphingoid-1-phosphates-bond2" atomRefs="Sphingoid-1-phosphates-atom2 Sphingoid-1-phosphates-atom3" order="1"/> <bond id="Sphingoid-1-phosphates-bond3" atomRefs="Sphingoid-1-phosphates-atom3 Sphingoid-1-phosphates-atom4" order="1"/> <bond id="Sphingoid-1-phosphates-bond4" atomRefs="Sphingoid-1-phosphates-atom4 Sphingoid-1-phosphates-atom5" order="1"/> <bond id="Sphingoid-1-phosphates-bond5" atomRefs="Sphingoid-1-phosphates-atom4 Sphingoid-1-phosphates-atom6" order="1"/> <bond id="Sphingoid-1-phosphates-bond6" atomRefs="Sphingoid-1-phosphates-atom3 Sphingoid-1-phosphates-atom7" order="1"/> <bond id="Sphingoid-1-phosphates-bond7" atomRefs="Sphingoid-1-phosphates-atom1 Sphingoid-1-phosphates-atom8" order="1"/> <bond id="Sphingoid-1-…

CHEBI CHEBI:17933
structure data: InChI%3D1S%2FC27H44O2%2Fc1-19-10-13-23%2828%2918-22%2819%2912-11-21-9-7-17-27%285%2924%2814-15-25%2821%2927%2920%282%298-6-16-26%283%2C4%2929%2Fh11-12%2C20%2C23-25%2C28-29H%2C1%2C6-10%2C13-18H2%2C2-5H3%2Fb21-11%2B%2C22-12-%2Ft20-%2C23%2B%2C24-%2C25%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:53160
structure data: InChI%3D1S%2FC25H34O%2Fc1-20%2811-7-8-12-22%283%2919-26%2913-9-14-21%282%2916-17-24-23%284%2915-10-18-25%2824%2C5%296%2Fh7-9%2C11-14%2C16-17%2C19H%2C10%2C15%2C18H2%2C1-6H3%2Fb8-7%2B%2C13-9%2B%2C17-16%2B%2C20-11%2B%2C21-14%2B%2C22-12%2B

biopax-level3ChemicalStructure166422
structure data: <atom id="CPD-12019-atom1" elementType="C" x2="-11196.0" y2="1768.0"/> <atom id="CPD-12019-atom2" elementType="C" x2="-18341.0" y2="5893.0"/> <atom id="CPD-12019-atom3" elementType="C" x2="-18341.0" y2="14143.0"/> <atom id="CPD-12019-atom4" elementType="C" x2="-11196.0" y2="18268.0"/> <atom id="CPD-12019-atom5" elementType="C" x2="3794.0" y2="3344.0"/> <atom id="CPD-12019-atom6" elementType="C" x2="-4052.0" y2="5893.0"/> <atom id="CPD-12019-atom7" elementType="C" x2="-4052.0" y2="14143.0"/> <atom id="CPD-12019-atom8" elementType="N" x2="3794.0" y2="16692.0"/> <atom id="CPD-12019-atom9" elementType="C" x2="8643.0" y2="10018.0"/> <atom id="CPD-12019-atom10" elementType="O" x2="-25486.0" y2="1768.0"/> <atom id="CPD-12019-atom11" elementType="C" x2="-32631.0" y2="5893.0"/> <atom id="CPD-12019-atom12" elementType="C" x2="5930.0" y2="-4625.0"/> <atom id="CPD-12019-atom13" elementType="C" x2="13899.0" y2="-6760.0"/> <atom id="CPD-12019-atom14" elementType="O" x2="16035.0" y2="-14729.0"/> <bond id="CPD-12019-bond1" atomRefs="CPD-12019-atom1 CPD-12019-atom2" order="2"/> <bond id="CPD-12019-bond2" atomRefs="CPD-12019-atom2 CPD-12019-atom3" order="1"/> <bond id="CPD-12019-bond3" atomRefs="CPD-12019-atom3 CPD-12019-atom4" order="2"/> <bond id="CPD-12019-bond4" atomRefs="CPD-12019-atom4 CPD-12019-atom7" order="1"/> <bond id="CPD-12019-bond5" atomRefs="CPD-12019-atom1 CPD-12019-atom6" order="1"/> <bond id="CPD-12019-bond6" atomRefs="CPD-12019-atom5 CPD-12019-atom6" order="1"/> <bond id="CPD-12019-bond7" atomRefs="CPD-12019-atom7 CPD-12019-atom8" order="1"/> <bond id="CPD-12019-bond8" atomRefs="CPD-12019-atom8 CPD-12019-atom9" order="1"/> <bond id="CPD-12019-bond9" atomRefs="CPD-12019-atom5 CPD-12019-atom9" order="2"/> <bond id="CPD-12019-bond10" atomRefs="CPD-12019-atom6 CPD-12019-atom7" order="2"/> <bond id="CPD-12019-bond11" atomRefs="CPD-12019-atom2 CPD-12019-atom10" order="1"/> <bond id="CPD-12019-bond12" atomRefs="CPD-12019-atom10 CPD-12019-atom11" order="1"/> <bond id="CPD-…

CHEBI CHEBI:258351
structure data: InChI%3D1S%2FC14H22N2O3%2Fc1-10%282%2915-8-13%2818%299-19-14-6-4-12%285-7-14%2916-11%283%2917%2Fh4-7%2C10%2C13%2C15%2C18H%2C8-9H2%2C1-3H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:52980
structure data: InChI%3D1S%2FC44H89NO4%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43%2848%2945-41%2840-46%2944%2849%2942%2847%2938-36-34-32-30-28-16-14-12-10-8-6-4-2%2Fh41-42%2C44%2C46-47%2C49H%2C3-40H2%2C1-2H3%2C%28H%2C45%2C48%29%2Ft41-%2C42%2B%2C44-%2Fm0%2Fs1

CHEBI CHEBI:1784
structure data: InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2

CHEBI CHEBI:16793
structure data: InChI%3D1S%2FHg%2Fq%2B2

CHEBI CHEBI:58618
structure data: InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-2

CHEBI CHEBI:62934
structure data: InChI%3D1S%2FC14H20N6O2%2Fc1-9%282%293-5-16-12-11-13%2818-7-17-11%2920%288-19-12%296-4-10%2815%2914%2821%2922%2Fh3%2C7-8%2C10%2C16H%2C4-6%2C15H2%2C1-2H3%2C%28H%2C21%2C22%29%2Fp-1%2Ft10-%2Fm0%2Fs1

biopax-level3ChemicalStructure144766
structure data: <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom1" elementType="C" x2="201600.0" y2="-8916.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom2" elementType="C" x2="165036.0" y2="-5533.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom3" elementType="C" x2="32934.0" y2="-11090.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom4" elementType="C" x2="131554.0" y2="-4567.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom5" elementType="N" x2="202060.0" y2="-30654.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom6" elementType="O" x2="190051.0" y2="0.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom7" elementType="O" x2="150811.0" y2="-11302.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom8" elementType="O" x2="18862.0" y2="-13630.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom9" elementType="O" x2="118019.0" y2="-10831.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom10" elementType="O" x2="204965.0" y2="-17095.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom11" elementType="O" x2="175354.0" y2="-18267.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom12" elementType="O" x2="37601.0" y2="-31225.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom13" elementType="O" x2="4296.0" y2="-53847.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom14" elementType="O" x2="153793.0" y2="-51596.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom15" elementType="O" x2="85797.0" y2="-52504.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom16" elementType="O" x2="119610.0" y2="-52250.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom17" elementType="O" x2="60400.0" y2="-5097.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom18" elementType="O" x2="46151.0" y2="-12716.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP-atom19" elementType="O" x2="0.0" y2="-29475.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GLUC…

CHEBI CHEBI:37079
structure data: InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)

CHEBI CHEBI:46911
structure data: InChI%3D1S%2FC5H12N2O2%2Fc6-3-1-2-4%287%295%288%299%2Fh4H%2C1-3%2C6-7H2%2C%28H%2C8%2C9%29%2Fp%2B1%2Ft4-%2Fm0%2Fs1

biopax-level3ChemicalStructure160182
structure data: <atom id="CPD-5162-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5162-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5162-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5162-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5162-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5162-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5162-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5162-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5162-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5162-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5162-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5162-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5162-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5162-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5162-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5162-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5162-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5162-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5162-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5162-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5162-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5162-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5162-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5162-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5162-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5162-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5162-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

biopax-level3ChemicalStructure143692
structure data: <atom id="Mannosyl8-Nacetylglucosaminyl2-atom1" elementType="C" x2="-3312.0" y2="-1753.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom2" elementType="O" x2="-3452.0" y2="-1710.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom3" elementType="O" x2="-3684.0" y2="-2078.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom4" elementType="O" x2="-3532.0" y2="-1758.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom5" elementType="C" x2="-3684.0" y2="-1995.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom6" elementType="N" x2="-3390.0" y2="-1849.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom7" elementType="O" x2="-3532.0" y2="-2004.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom8" elementType="C" x2="-3390.0" y2="-1767.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom9" elementType="C" x2="-3532.0" y2="-1840.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom10" elementType="C" x2="-3611.0" y2="-1959.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom11" elementType="C" x2="-3469.0" y2="-1968.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom12" elementType="C" x2="-3469.0" y2="-1885.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom13" elementType="C" x2="-3611.0" y2="-1877.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom14" elementType="O" x2="-3401.0" y2="-2014.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom15" elementType="O" x2="-3672.0" y2="-1830.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom16" elementType="C" x2="-3887.0" y2="-1789.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom17" elementType="C" x2="-3887.0" y2="-1706.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom18" elementType="C" x2="-3815.0" y2="-1665.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom19" elementType="C" x2="-3744.0" y2="-1706.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom20" elementType="C" x2="-3744.0" y2="-1789.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom21" elementType="C" x2="-3958.0" y2="-1830.0"/> <atom id="Mannosyl8-Nacetylglucosaminyl2-atom22" element…

CHEBI CHEBI:57737
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-3%287%295%289%294%288%292-13-14%2810%2C11%2912%2Fh4-6%2C8-9H%2C1-2H2%2C%28H2%2C10%2C11%2C12%29%2Fp-2%2Ft4-%2C5-%2Fm1%2Fs1

CHEBI CHEBI:28716
structure data: InChI%3D1S%2FC16H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2817%2918%2Fh7-8H%2C2-6%2C9-15H2%2C1H3%2C%28H%2C17%2C18%29%2Fb8-7-

biopax-level3ChemicalStructure145158
structure data: <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom1" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom2" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom3" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom4" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom5" elementType="O" x2="7292.0" y2="-1784.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom6" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom7" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom8" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom9" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom10" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom11" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom12" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom13" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom14" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom15" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom16" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom17" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom18" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom19" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom20" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="INOSITOL-1-4-5-TRISPHOSPHATE-atom21" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="INOSITO…

biopax-level3ChemicalStructure171720
structure data: <cml> <molecule id="S-2-Hydroxyacids1" title="an (S)-2-hydroxyacid" formalCharge="0" dictRef="dictS-2-Hydroxyacids1"> <atomArray> <atom id="S-2-Hydroxyacids1-atom1" elementType="H" x2="9772.0" y2="-34186.0"/> <atom id="S-2-Hydroxyacids1-atom2" elementType="O" x2="26667.0" y2="-627.0"/> <atom id="S-2-Hydroxyacids1-atom3" elementType="O" x2="7099.0" y2="0.0"/> <atom id="S-2-Hydroxyacids1-atom4" elementType="O" x2="29388.0" y2="-20854.0"/> <atom id="S-2-Hydroxyacids1-atom5" elementType="R1" x2="0.0" y2="-13007.0"/> <atom id="S-2-Hydroxyacids1-atom6" elementType="C" x2="15815.0" y2="-6382.0"/> <atom id="S-2-Hydroxyacids1-atom7" elementType="C" x2="15732.0" y2="-21859.0"/> </atomArray> <bondArray> <bond id="S-2-Hydroxyacids1-bond1" atomRefs="S-2-Hydroxyacids1-atom7 S-2-Hydroxyacids1-atom6" order="1"/> <bond id="S-2-Hydroxyacids1-bond2" atomRefs="S-2-Hydroxyacids1-atom5 S-2-Hydroxyacids1-atom7" order="1"/> <bond id="S-2-Hydroxyacids1-bond3" atomRefs="S-2-Hydroxyacids1-atom4 S-2-Hydroxyacids1-atom7" order="1"/> <bond id="S-2-Hydroxyacids1-bond4" atomRefs="S-2-Hydroxyacids1-atom3 S-2-Hydroxyacids1-atom6" order="1"/> <bond id="S-2-Hydroxyacids1-bond5" atomRefs="S-2-Hydroxyacids1-atom2 S-2-Hydroxyacids1-atom6" order="2"/> <bond id="S-2-Hydroxyacids1-bond6" atomRefs="S-2-Hydroxyacids1-atom1 S-2-Hydroxyacids1-atom7" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)(O)[CH](O)[R1]</string> </molecule> </cml>

biopax-level3ChemicalStructure151079
structure data: <atom id="CPD-8124-atom1" elementType="C" x2="-97300.0" y2="-630.0"/> <atom id="CPD-8124-atom2" elementType="C" x2="-97300.0" y2="81880.0"/> <atom id="CPD-8124-atom3" elementType="C" x2="45590.0" y2="-630.0"/> <atom id="CPD-8124-atom4" elementType="C" x2="45590.0" y2="81880.0"/> <atom id="CPD-8124-atom5" elementType="C" x2="-240180.0" y2="81880.0"/> <atom id="CPD-8124-atom6" elementType="C" x2="188460.0" y2="-630.0"/> <atom id="CPD-8124-atom7" elementType="C" x2="188460.0" y2="81880.0"/> <atom id="CPD-8124-atom8" elementType="C" x2="259910.0" y2="123130.0"/> <atom id="CPD-8124-atom9" elementType="N" x2="-240180.0" y2="-630.0"/> <atom id="CPD-8124-atom10" elementType="N" x2="-168730.0" y2="123130.0"/> <atom id="CPD-8124-atom11" elementType="C" x2="-168730.0" y2="-41880.0"/> <atom id="CPD-8124-atom12" elementType="O" x2="-168730.0" y2="-124380.0"/> <atom id="CPD-8124-atom13" elementType="N" x2="-311620.0" y2="123130.0"/> <atom id="CPD-8124-atom14" elementType="N" x2="-25860.0" y2="-41880.0"/> <atom id="CPD-8124-atom15" elementType="N" x2="-25860.0" y2="123130.0"/> <atom id="CPD-8124-atom16" elementType="O" x2="117040.0" y2="123130.0"/> <atom id="CPD-8124-atom17" elementType="C" x2="117040.0" y2="-41880.0"/> <atom id="CPD-8124-atom18" elementType="S" x2="117040.0" y2="-124380.0"/> <atom id="CPD-8124-atom19" elementType="S" x2="259910.0" y2="-41880.0"/> <atom id="CPD-8124-atom20" elementType="O" x2="331360.0" y2="81880.0"/> <atom id="CPD-8124-atom21" elementType="P" x2="402800.0" y2="123130.0"/> <atom id="CPD-8124-atom22" elementType="O" x2="444050.0" y2="51680.0" formalCharge="-1"/> <atom id="CPD-8124-atom23" elementType="O" x2="474250.0" y2="164370.0"/> <atom id="CPD-8124-atom24" elementType="O" x2="361550.0" y2="194550.0" formalCharge="-1"/> <atom id="CPD-8124-atom25" elementType="O" x2="317170.0" y2="-180710.0"/> <atom id="CPD-8124-atom26" elementType="MO" x2="231230.0" y2="-159370.0"/> <atom id="CPD-8124-atom27" elementType="S" x2="231230.0" y2="-241850.0"/> <bond …

biopax-level3ChemicalStructure158820
structure data: <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom1" elementType="C" x2="82341.0" y2="-42739.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom2" elementType="C" x2="1482.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom3" elementType="O" x2="93391.0" y2="-50494.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom4" elementType="O" x2="15676.0" y2="-989.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom5" elementType="O" x2="45209.0" y2="-19801.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom6" elementType="O" x2="0.0" y2="-46033.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom7" elementType="O" x2="22443.0" y2="-62375.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom8" elementType="O" x2="49835.0" y2="-79039.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom9" elementType="O" x2="35806.0" y2="-14186.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom10" elementType="O" x2="0.0" y2="-37783.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom11" elementType="O" x2="22609.0" y2="-4784.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom12" elementType="O" x2="0.0" y2="-29533.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom13" elementType="O" x2="22443.0" y2="-37618.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom14" elementType="O" x2="51153.0" y2="-37783.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom15" elementType="O" x2="64022.0" y2="-47028.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom16" elementType="General-Glycoprotein-Substrates" x2="78478.0" y2="-85226.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom17" elementType="C" x2="8250.0" y2="-46033.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom18" elementType="C" x2="22443.0" y2="-54125.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER-atom19" elementType="C" x2="49835.0" y2="-70790.0"/> <atom id="ALPHA-N-ACETYLN…

CHEBI CHEBI:32304
structure data: InChI%3D1S%2FC15H22O3%2Fc1-11%286-8-16%295-7-15-13%282%2C3%299-12%2817%2910-14%2815%2C4%2918-15%2Fh5-8%2C12%2C17H%2C9-10H2%2C1-4H3%2Fb7-5%2B%2C11-6-%2Ft12-%2C14%2B%2C15-%2Fm0%2Fs1

biopax-level3ChemicalStructure140304
structure data: <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom1" elementType="C" x2="101620.0" y2="86520.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom2" elementType="O" x2="132810.0" y2="-279700.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom3" elementType="C" x2="-39240.0" y2="86520.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom4" elementType="O" x2="-197200.0" y2="-180090.0" formalCharge="-1"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom5" elementType="C" x2="101620.0" y2="165000.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom6" elementType="O" x2="-197200.0" y2="-14090.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom7" elementType="C" x2="132810.0" y2="-230400.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom8" elementType="C" x2="230400.0" y2="122750.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom9" elementType="C" x2="35210.0" y2="196190.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom10" elementType="O" x2="-120730.0" y2="-97590.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom11" elementType="N" x2="176070.0" y2="47290.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom12" elementType="O" x2="35210.0" y2="278690.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom13" elementType="C" x2="-39240.0" y2="-97590.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom14" elementType="N" x2="174060.0" y2="196190.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom15" elementType="C" x2="1010.0" y2="-230400.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom16" elementType="O" x2="-279700.0" y2="-97590.0" formalCharge="-1"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom17" elementType="O" x2="-121740.0" y2="86520.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom18" elementType="C" x2="176070.0" y2="-135820.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom19" elementType="C" x2="-39240.0" y2="-147900.0"/> <atom id="PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE-atom…

CHEBI CHEBI:48645
structure data: InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm0%2Fs1

CHEBI CHEBI:65241
structure data: InChI%3D1S%2FC7H14O2S%2Fc1-2-3-4-5-10-6-7%288%299%2Fh2-6H2%2C1H3%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure170782
structure data: <atom id="CPD-10488-atom1" elementType="C" x2="-23277.0" y2="5303.0"/> <atom id="CPD-10488-atom2" elementType="C" x2="-30421.0" y2="9428.0"/> <atom id="CPD-10488-atom3" elementType="C" x2="-30421.0" y2="17679.0"/> <atom id="CPD-10488-atom4" elementType="C" x2="-23277.0" y2="21804.0"/> <atom id="CPD-10488-atom5" elementType="C" x2="-16132.0" y2="17679.0"/> <atom id="CPD-10488-atom6" elementType="C" x2="-16132.0" y2="9428.0"/> <atom id="CPD-10488-atom7" elementType="N" x2="-8987.0" y2="5303.0"/> <atom id="CPD-10488-atom8" elementType="C" x2="-1843.0" y2="9428.0"/> <atom id="CPD-10488-atom9" elementType="O" x2="-1843.0" y2="17678.0"/> <atom id="CPD-10488-atom10" elementType="C" x2="-23277.0" y2="-2947.0"/> <atom id="CPD-10488-atom11" elementType="C" x2="-30421.0" y2="-7072.0"/> <atom id="CPD-10488-atom12" elementType="C" x2="-30421.0" y2="-15322.0"/> <atom id="CPD-10488-atom13" elementType="C" x2="-36255.0" y2="-21155.0"/> <atom id="CPD-10488-atom14" elementType="O" x2="-36255.0" y2="-29405.0" formalCharge="-1"/> <atom id="CPD-10488-atom15" elementType="O" x2="-43400.0" y2="-17030.0"/> <atom id="CPD-10488-atom16" elementType="N" x2="-23277.0" y2="-19447.0" formalCharge="1"/> <atom id="CPD-10488-atom17" elementType="O" x2="-16132.0" y2="-7072.0"/> <bond id="CPD-10488-bond1" atomRefs="CPD-10488-atom1 CPD-10488-atom2" order="2"/> <bond id="CPD-10488-bond2" atomRefs="CPD-10488-atom2 CPD-10488-atom3" order="1"/> <bond id="CPD-10488-bond3" atomRefs="CPD-10488-atom3 CPD-10488-atom4" order="2"/> <bond id="CPD-10488-bond4" atomRefs="CPD-10488-atom4 CPD-10488-atom5" order="1"/> <bond id="CPD-10488-bond5" atomRefs="CPD-10488-atom5 CPD-10488-atom6" order="2"/> <bond id="CPD-10488-bond6" atomRefs="CPD-10488-atom1 CPD-10488-atom6" order="1"/> <bond id="CPD-10488-bond7" atomRefs="CPD-10488-atom6 CPD-10488-atom7" order="1"/> <bond id="CPD-10488-bond8" atomRefs="CPD-10488-atom7 CPD-10488-atom8" order="1"/> <bond id="CPD-10488-bond9" atomRefs="CPD-10488-atom8 CPD-10488-atom9" order="2"/…

CHEBI CHEBI:15745
structure data: InChI%3D1S%2FC6H7NO3%2Fc7-5%286%289%2910%293-1-2-4-8%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29%2Fb2-1-%2C5-3%2B

biopax-level3ChemicalStructure147325
structure data: <atom id="CPD-178-atom1" elementType="O" x2="6145.0" y2="-1423.0"/> <atom id="CPD-178-atom2" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-178-atom3" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-178-atom4" elementType="O" x2="6955.0" y2="-2861.0" formalCharge="-1"/> <atom id="CPD-178-atom5" elementType="O" x2="7293.0" y2="-1784.0" formalCharge="-1"/> <atom id="CPD-178-atom6" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-178-atom7" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-178-atom8" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-178-atom9" elementType="O" x2="5795.0" y2="-4125.0"/> <atom id="CPD-178-atom10" elementType="O" x2="5795.0" y2="-2475.0"/> <atom id="CPD-178-atom11" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-178-atom12" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-178-atom13" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-178-atom14" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-178-atom15" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-178-atom16" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-178-atom17" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="CPD-178-atom18" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="CPD-178-atom19" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="CPD-178-atom20" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="CPD-178-atom21" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="CPD-178-atom22" elementType="P" x2="6550.0" y2="-2142.0"/> <atom id="CPD-178-atom23" elementType="P" x2="4365.0" y2="-825.0"/> <atom id="CPD-178-atom24" elementType="P" x2="2208.0" y2="-2089.0"/> <atom id="CPD-178-atom25" elementType="P" x2="6509.0" y2="-4538.0"/> <atom id="CPD-178-atom26" elementType="O" x2="7224.0" y2="-4950.0" formalCharge="-1"/> <atom id="CPD-178-atom27" elementType="O" x2="6097.0" y2="-5252.0"/> <atom id="CPD-178-atom28" e…

CHEBI CHEBI:15756
structure data: InChI%3D1S%2FC16H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2817%2918%2Fh2-15H2%2C1H3%2C%28H%2C17%2C18%29

biopax-level3ChemicalStructure174025
structure data: <atom id="CPD1G-108-atom1" elementType="C" x2="1741110.0" y2="-173820.0"/> <atom id="CPD1G-108-atom2" elementType="C" x2="1812550.0" y2="-215070.0"/> <atom id="CPD1G-108-atom3" elementType="C" x2="1883980.0" y2="-173820.0"/> <atom id="CPD1G-108-atom4" elementType="C" x2="1955430.0" y2="-215070.0"/> <atom id="CPD1G-108-atom5" elementType="C" x2="2026880.0" y2="-173820.0"/> <atom id="CPD1G-108-atom6" elementType="C" x2="2098320.0" y2="-215070.0"/> <atom id="CPD1G-108-atom7" elementType="C" x2="2169770.0" y2="-173820.0"/> <atom id="CPD1G-108-atom8" elementType="C" x2="2241200.0" y2="-215070.0"/> <atom id="CPD1G-108-atom9" elementType="C" x2="2312640.0" y2="-173820.0"/> <atom id="CPD1G-108-atom10" elementType="C" x2="2384090.0" y2="-215070.0"/> <atom id="CPD1G-108-atom11" elementType="C" x2="2455540.0" y2="-173820.0"/> <atom id="CPD1G-108-atom12" elementType="C" x2="2526990.0" y2="-215070.0"/> <atom id="CPD1G-108-atom13" elementType="C" x2="2598410.0" y2="-173820.0"/> <atom id="CPD1G-108-atom14" elementType="C" x2="2669860.0" y2="-215070.0"/> <atom id="CPD1G-108-atom15" elementType="C" x2="2741310.0" y2="-173820.0"/> <atom id="CPD1G-108-atom16" elementType="C" x2="2812740.0" y2="-215070.0"/> <atom id="CPD1G-108-atom17" elementType="O" x2="2812740.0" y2="-297570.0"/> <atom id="CPD1G-108-atom18" elementType="O" x2="2669860.0" y2="-297570.0"/> <atom id="CPD1G-108-atom19" elementType="C" x2="2741310.0" y2="-91340.0"/> <atom id="CPD1G-108-atom20" elementType="C" x2="2669860.0" y2="-50090.0"/> <atom id="CPD1G-108-atom21" elementType="C" x2="2598410.0" y2="-91340.0"/> <atom id="CPD1G-108-atom22" elementType="C" x2="2526990.0" y2="-50090.0"/> <atom id="CPD1G-108-atom23" elementType="C" x2="2455540.0" y2="-91340.0"/> <atom id="CPD1G-108-atom24" elementType="C" x2="2384090.0" y2="-50090.0"/> <atom id="CPD1G-108-atom25" elementType="C" x2="2312640.0" y2="-91340.0"/> <atom id="CPD1G-108-atom26" elementType="C" x2="2241200.0" y2="-50090.0"/> <atom id="CPD1G-108-atom27" elementType="…

CHEBI CHEBI:3032
structure data: InChI%3D1S%2FC30H53NO11%2Fc1-3-4-9-31-29-7-5-28%286-8-29%2930%2832%2942-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2%2Fh5-8%2C31H%2C3-4%2C9-27H2%2C1-2H3

biopax-level3ChemicalStructure167385
structure data: <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom1" elementType="C" x2="30624.0" y2="8937.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom2" elementType="C" x2="23479.0" y2="13062.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom3" elementType="C" x2="44913.0" y2="25437.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom4" elementType="C" x2="52058.0" y2="21313.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom5" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom6" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom7" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom8" elementType="C" x2="44913.0" y2="687.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom9" elementType="C" x2="67049.0" y2="-1863.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom10" elementType="C" x2="83405.0" y2="-4031.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom11" elementType="C" x2="104790.0" y2="341.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom12" elementType="C" x2="93462.0" y2="9050.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom13" elementType="C" x2="96612.0" y2="1425.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom14" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom15" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom16" elementType="C" x2="59203.0" y2="-7563.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom17" elementType="C" x2="70198.0" y2="-9487.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom18" elementType="C" x2="65171.0" y2="-16028.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom19" elementType="C" x2="23479.0" y2="21313.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom20" elementType="O" x2="16336.0" y2="25437.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom21" elementType="C" x2="78377.0" y2="-10572.0"/> <atom id="ALPHA-METHYL-5-ALPHA-ERGOSTA-atom22" elementType="C" x2="37769.0" y2="21313.0"/> <atom id="ALP…

biopax-level3ChemicalStructure126508
structure data: <atom id="ARG-atom1" elementType="C" x2="-6008.0" y2="-1408.0"/> <atom id="ARG-atom2" elementType="C" x2="1064.0" y2="2816.0"/> <atom id="ARG-atom3" elementType="C" x2="-13251.0" y2="2610.0"/> <atom id="ARG-atom4" elementType="C" x2="8272.0" y2="-1202.0"/> <atom id="ARG-atom5" elementType="C" x2="-19981.0" y2="-1785.0"/> <atom id="ARG-atom6" elementType="N" x2="-12977.0" y2="10848.0" formalCharge="1"/> <atom id="ARG-atom7" elementType="N" x2="15380.0" y2="2987.0"/> <atom id="ARG-atom8" elementType="O" x2="-27189.0" y2="2231.0" formalCharge="-1"/> <atom id="ARG-atom9" elementType="O" x2="-20256.0" y2="-10058.0"/> <atom id="ARG-atom10" elementType="C" x2="22591.0" y2="-996.0"/> <atom id="ARG-atom11" elementType="N" x2="29661.0" y2="3193.0"/> <atom id="ARG-atom12" elementType="N" x2="22693.0" y2="-9268.0" formalCharge="1"/> <bond id="ARG-bond1" atomRefs="ARG-atom1 ARG-atom2" order="1"/> <bond id="ARG-bond2" atomRefs="ARG-atom1 ARG-atom3" order="1"/> <bond id="ARG-bond3" atomRefs="ARG-atom2 ARG-atom4" order="1"/> <bond id="ARG-bond4" atomRefs="ARG-atom3 ARG-atom5" order="1"/> <bond id="ARG-bond5" atomRefs="ARG-atom3 ARG-atom6" order="1"/> <bond id="ARG-bond6" atomRefs="ARG-atom4 ARG-atom7" order="1"/> <bond id="ARG-bond7" atomRefs="ARG-atom5 ARG-atom8" order="1"/> <bond id="ARG-bond8" atomRefs="ARG-atom5 ARG-atom9" order="2"/> <bond id="ARG-bond9" atomRefs="ARG-atom7 ARG-atom10" order="1"/> <bond id="ARG-bond10" atomRefs="ARG-atom10 ARG-atom11" order="1"/> <bond id="ARG-bond11" atomRefs="ARG-atom10 ARG-atom12" order="2"/> <formula concise="H 15 O 2 N 4 C 6"/> 175.21 C(NC(=[N+])N)CCC([N+])C(=O)[O-]

CHEBI CHEBI:61634
structure data: InChI%3D1S%2FC51H88O7%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-45%2852%2956-35-44-46%2853%2947%2854%2948%2855%2949%2858-44%2957-39-30-32-50%285%2938%2834-39%2926-27-40-42-29-28-41%2837%284%2924-22-23-36%282%293%2951%2842%2C6%2933-31-43%2840%2950%2Fh14-15%2C26%2C36-37%2C39-44%2C46-49%2C53-55H%2C7-13%2C16-25%2C27-35H2%2C1-6H3%2Fb15-14-%2Ft37-%2C39%2B%2C40%2B%2C41-%2C42%2B%2C43%2B%2C44-%2C46%2B%2C47%2B%2C48-%2C49-%2C50%2B%2C51-%2Fm1%2Fs1

CHEBI CHEBI:44241
structure data: InChI%3D1S%2FC14H14N2O%2Fc1-14%282%2C12-6-4-8-16-10-12%2913%2817%2911-5-3-7-15-9-11%2Fh3-10H%2C1-2H3

CHEBI CHEBI:16444
structure data: InChI%3D1S%2FC5H8O4%2Fc1-3%286%295%282%2C9%294%287%298%2Fh9H%2C1-2H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:16827
structure data: InChI%3D1S%2FC21H30O4%2Fc1-20-8-7-13%2823%299-12%2820%293-4-14-15-5-6-16%2818%2825%2911-22%2921%2815%2C2%2910-17%2824%2919%2814%2920%2Fh9%2C14-17%2C19%2C22%2C24H%2C3-8%2C10-11H2%2C1-2H3%2Ft14-%2C15-%2C16%2B%2C17-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1

CHEBI CHEBI:53161
structure data: InChI%3D1S%2FC25H34O2%2Fc1-19%2810-7-8-11-21%283%2918-26%2912-9-13-20%282%2914-15-24-22%284%2916-23%2827%2917-25%2824%2C5%296%2Fh7-15%2C18%2C23%2C27H%2C16-17H2%2C1-6H3%2Fb8-7%2B%2C12-9%2B%2C15-14%2B%2C19-10%2B%2C20-13%2B%2C21-11%2B%2Ft23-%2Fm1%2Fs1

CHEBI CHEBI:30805
structure data: InChI%3D1S%2FC12H24O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2813%2914%2Fh2-11H2%2C1H3%2C%28H%2C13%2C14%29

CHEBI CHEBI:17724
structure data: InChI%3D1S%2FC4H9NO2%2Fc1-5%282%293-4%286%297%2Fh3H2%2C1-2H3%2C%28H%2C6%2C7%29

CHEBI CHEBI:52046
structure data: InChI%3D1S%2FC9H14O3%2Fc1-7%282%294-3-5-8%2810%296-9%2811%2912%2Fh4H%2C3%2C5-6H2%2C1-2H3%2C%28H%2C11%2C12%29

CHEBI CHEBI:20367
structure data: InChI%3D1S%2FC8H6O4%2Fc9-4-5-1-2-6%288%2811%2912%297%2810%293-5%2Fh1-4%2C10H%2C%28H%2C11%2C12%29

biopax-level3ChemicalStructure164677
structure data: <cml> <molecule id="Guaiacols" title="a guaiacol" formalCharge="0" dictRef="dictGuaiacols"> <atomArray> <atom id="Guaiacols-atom1" elementType="C" x2="1900.0" y2="-270690.0"/> <atom id="Guaiacols-atom2" elementType="C" x2="73350.0" y2="-311940.0"/> <atom id="Guaiacols-atom3" elementType="C" x2="144790.0" y2="-270690.0"/> <atom id="Guaiacols-atom4" elementType="C" x2="144790.0" y2="-188190.0"/> <atom id="Guaiacols-atom5" elementType="C" x2="73350.0" y2="-146940.0"/> <atom id="Guaiacols-atom6" elementType="C" x2="1900.0" y2="-188190.0"/> <atom id="Guaiacols-atom7" elementType="O" x2="-69550.0" y2="-146940.0"/> <atom id="Guaiacols-atom8" elementType="O" x2="73350.0" y2="-64440.0"/> <atom id="Guaiacols-atom9" elementType="C" x2="1900.0" y2="-23190.0"/> <atom id="Guaiacols-atom10" elementType="R1" x2="-69550.0" y2="-311940.0"/> <atom id="Guaiacols-atom11" elementType="R2" x2="73350.0" y2="-394440.0"/> <atom id="Guaiacols-atom12" elementType="R3" x2="216240.0" y2="-311940.0"/> <atom id="Guaiacols-atom13" elementType="R4" x2="216240.0" y2="-146940.0"/> </atomArray> <bondArray> <bond id="Guaiacols-bond1" atomRefs="Guaiacols-atom8 Guaiacols-atom9" order="1"/> <bond id="Guaiacols-bond2" atomRefs="Guaiacols-atom5 Guaiacols-atom8" order="1"/> <bond id="Guaiacols-bond3" atomRefs="Guaiacols-atom6 Guaiacols-atom7" order="1"/> <bond id="Guaiacols-bond4" atomRefs="Guaiacols-atom6 Guaiacols-atom5" order="2"/> <bond id="Guaiacols-bond5" atomRefs="Guaiacols-atom5 Guaiacols-atom4" order="1"/> <bond id="Guaiacols-bond6" atomRefs="Guaiacols-atom4 Guaiacols-atom3" order="2"/> <bond id="Guaiacols-bond7" atomRefs="Guaiacols-atom3 Guaiacols-atom2" order="1"/> <bond id="Guaiacols-bond8" atomRefs="Guaiacols-atom2 Guaiacols-atom1" order="2"/> <bond id="Guaiacols-bond9" atomRefs="Guaiacols-atom1 Guaiacols-atom6" order="1"/> <bond id="Guaiacols-bond10" atomRefs="Guaiacols-atom1 Guaiacols-atom10" order="1"/> <bond id="Guaiacols-bond11" atomRefs="Guaiacols-atom2 Guaiacols-atom11" order="1"/> <bond i…

CHEBI CHEBI:59189
structure data: InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3%2Ft23-%2Fm1%2Fs1

biopax-level3ChemicalStructure170286
structure data: <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom1" elementType="C" x2="733730.0" y2="-250560.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom2" elementType="C" x2="860440.0" y2="-320640.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom3" elementType="C" x2="477420.0" y2="-483380.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom4" elementType="C" x2="185540.0" y2="0.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom5" elementType="C" x2="99330.0" y2="-570.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom6" elementType="H" x2="431350.0" y2="-153170.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom7" elementType="C" x2="214340.0" y2="-276880.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom8" elementType="C" x2="428670.0" y2="-400620.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom9" elementType="O" x2="0.0" y2="-70630.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom10" elementType="C" x2="357240.0" y2="-111880.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom11" elementType="C" x2="663400.0" y2="-373660.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom12" elementType="C" x2="285790.0" y2="-70630.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom13" elementType="C" x2="743090.0" y2="-394980.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom14" elementType="C" x2="613320.0" y2="-439230.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom15" elementType="C" x2="71450.0" y2="-194380.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom16" elementType="C" x2="285790.0" y2="-318130.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom17" elementType="C" x2="555630.0" y2="-276880.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom18" elementType="C" x2="142900.0" y2="-235630.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom19" elementType="C" x2="507140.0" y2="-210130.0"/> <atom id="44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET-atom20" elementType="C" x2="357240.0" y2="…

CHEBI CHEBI:38290
structure data: InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Fp-1%2Ft2-%2C5%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure170430
structure data: <atom id="MORPHINE-atom1" elementType="C" x2="4810.0" y2="-3011.0"/> <atom id="MORPHINE-atom2" elementType="C" x2="2858.0" y2="-2488.0"/> <atom id="MORPHINE-atom3" elementType="C" x2="2858.0" y2="-5788.0"/> <atom id="MORPHINE-atom4" elementType="C" x2="2144.0" y2="-6201.0"/> <atom id="MORPHINE-atom5" elementType="C" x2="3803.0" y2="-4298.0"/> <atom id="MORPHINE-atom6" elementType="C" x2="2727.0" y2="-4309.0"/> <atom id="MORPHINE-atom7" elementType="C" x2="3572.0" y2="-4551.0"/> <atom id="MORPHINE-atom8" elementType="O" x2="714.0" y2="-2076.0"/> <atom id="MORPHINE-atom9" elementType="O" x2="714.0" y2="-6201.0"/> <atom id="MORPHINE-atom10" elementType="C" x2="1429.0" y2="-2488.0"/> <atom id="MORPHINE-atom11" elementType="C" x2="2858.0" y2="-3313.0"/> <atom id="MORPHINE-atom12" elementType="C" x2="1429.0" y2="-4963.0"/> <atom id="MORPHINE-atom13" elementType="C" x2="2858.0" y2="-4963.0"/> <atom id="MORPHINE-atom14" elementType="C" x2="1429.0" y2="-5788.0"/> <atom id="MORPHINE-atom15" elementType="C" x2="2144.0" y2="-4551.0"/> <atom id="MORPHINE-atom16" elementType="N" x2="4398.0" y2="-3726.0" formalCharge="1"/> <atom id="MORPHINE-atom17" elementType="C" x2="2144.0" y2="-2076.0"/> <atom id="MORPHINE-atom18" elementType="C" x2="3572.0" y2="-3726.0"/> <atom id="MORPHINE-atom19" elementType="C" x2="2144.0" y2="-3726.0"/> <atom id="MORPHINE-atom20" elementType="O" x2="777.0" y2="-4269.0"/> <atom id="MORPHINE-atom21" elementType="C" x2="1429.0" y2="-3313.0"/> <bond id="MORPHINE-bond1" atomRefs="MORPHINE-atom20 MORPHINE-atom21" order="1"/> <bond id="MORPHINE-bond2" atomRefs="MORPHINE-atom1 MORPHINE-atom16" order="1"/> <bond id="MORPHINE-bond3" atomRefs="MORPHINE-atom20 MORPHINE-atom12" order="1"/> <bond id="MORPHINE-bond4" atomRefs="MORPHINE-atom2 MORPHINE-atom11" order="1"/> <bond id="MORPHINE-bond5" atomRefs="MORPHINE-atom2 MORPHINE-atom17" order="2"/> <bond id="MORPHINE-bond6" atomRefs="MORPHINE-atom21 MORPHINE-atom10" order="1"/> <bond id="MORPHINE-bond7" atomRefs="MORPHI…

CHEBI CHEBI:63244
structure data: InChI%3D1S%2FC15H22O%2Fc1-10-4-5-13-11%288-16%296-12-7-14%282%2C3%299-15%2810%2C12%2913%2Fh6%2C8%2C10%2C12-13H%2C4-5%2C7%2C9H2%2C1-3H3%2Ft10-%2C12-%2C13%2B%2C15-%2Fm1%2Fs1

biopax-level3ChemicalStructure152073
structure data: <atom id="NICOTINATE_NUCLEOTIDE-atom1" elementType="C" x2="1573.0" y2="-590.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom2" elementType="O" x2="34308.0" y2="1966.0" formalCharge="-1"/> <atom id="NICOTINATE_NUCLEOTIDE-atom3" elementType="C" x2="-14254.0" y2="8159.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom4" elementType="N" x2="-14254.0" y2="-9536.0" formalCharge="1"/> <atom id="NICOTINATE_NUCLEOTIDE-atom5" elementType="C" x2="-21136.0" y2="-13566.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom6" elementType="C" x2="-9241.0" y2="-590.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom7" elementType="O" x2="-34407.0" y2="-21431.0" formalCharge="-1"/> <atom id="NICOTINATE_NUCLEOTIDE-atom8" elementType="C" x2="-21136.0" y2="-21922.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom9" elementType="O" x2="-3244.0" y2="13763.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom10" elementType="C" x2="7668.0" y2="8159.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom11" elementType="C" x2="-13959.0" y2="-25854.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom12" elementType="P" x2="28017.0" y2="1966.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom13" elementType="O" x2="21332.0" y2="1966.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom14" elementType="C" x2="-6980.0" y2="-21922.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom15" elementType="C" x2="-27329.0" y2="-25854.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom16" elementType="O" x2="28017.0" y2="-4719.0" formalCharge="-1"/> <atom id="NICOTINATE_NUCLEOTIDE-atom17" elementType="O" x2="1573.0" y2="4522.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom18" elementType="O" x2="-27329.0" y2="-34407.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom19" elementType="O" x2="-9241.0" y2="4522.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom20" elementType="O" x2="28017.0" y2="9044.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom21" elementType="C" x2="-6980.0" y2="-13566.0"/> <atom id="NICOTINATE_NUCLEOTIDE-atom22" elementType="C" x2="12288.0" y2="1868.0"/> <bond id="NICOTINATE_NUCLEOTIDE-bond1" atomRefs="NICOTINATE_NUCLEOTIDE-atom22 NICOTINATE…

CHEBI CHEBI:9753
structure data: InChI%3D1S%2FC24H27NO5S%2Fc1-13-14%282%2921-18%2815%283%2920%2813%2926%299-10-24%284%2C30-21%2912-29-17-7-5-16%286-8-17%2911-19-22%2827%2925-23%2828%2931-19%2Fh5-8%2C19%2C26H%2C9-12H2%2C1-4H3%2C%28H%2C25%2C27%2C28%29

biopax-level3ChemicalStructure139436
structure data: <atom id="CPD-12366-atom1" elementType="N" x2="478400.0" y2="-299800.0"/> <atom id="CPD-12366-atom2" elementType="O" x2="620500.0" y2="-546600.0"/> <atom id="CPD-12366-atom3" elementType="O" x2="82300.0" y2="-198100.0"/> <atom id="CPD-12366-atom4" elementType="O" x2="410900.0" y2="-198000.0"/> <atom id="CPD-12366-atom5" elementType="O" x2="246700.0" y2="-198000.0"/> <atom id="CPD-12366-atom6" elementType="O" x2="608500.0" y2="0.0"/> <atom id="CPD-12366-atom7" elementType="O" x2="0.0" y2="-115400.0" formalCharge="-1"/> <atom id="CPD-12366-atom8" elementType="O" x2="82300.0" y2="-33100.0" formalCharge="-1"/> <atom id="CPD-12366-atom9" elementType="O" x2="410700.0" y2="-33800.0" formalCharge="-1"/> <atom id="CPD-12366-atom10" elementType="O" x2="246700.0" y2="-33800.0" formalCharge="-1"/> <atom id="CPD-12366-atom11" elementType="C" x2="819800.0" y2="-381600.0"/> <atom id="CPD-12366-atom12" elementType="C" x2="554200.0" y2="-170400.0"/> <atom id="CPD-12366-atom13" elementType="C" x2="739500.0" y2="-66200.0"/> <atom id="CPD-12366-atom14" elementType="N" x2="771700.0" y2="-449000.0"/> <atom id="CPD-12366-atom15" elementType="N" x2="620800.0" y2="-298600.0"/> <atom id="CPD-12366-atom16" elementType="O" x2="492900.0" y2="-115800.0"/> <atom id="CPD-12366-atom17" elementType="O" x2="698000.0" y2="-192500.0"/> <atom id="CPD-12366-atom18" elementType="O" x2="164800.0" y2="-115600.0"/> <atom id="CPD-12366-atom19" elementType="O" x2="328800.0" y2="-115900.0"/> <atom id="CPD-12366-atom20" elementType="C" x2="549700.0" y2="-340500.0"/> <atom id="CPD-12366-atom21" elementType="C" x2="620800.0" y2="-464500.0"/> <atom id="CPD-12366-atom22" elementType="C" x2="692800.0" y2="-423500.0"/> <atom id="CPD-12366-atom23" elementType="C" x2="692800.0" y2="-340500.0"/> <atom id="CPD-12366-atom24" elementType="C" x2="657000.0" y2="-66200.0"/> <atom id="CPD-12366-atom25" elementType="C" x2="632100.0" y2="-144800.0"/> <atom id="CPD-12366-atom26" elementType="C" x2="764800.0" y2="-144800.0"/> <atom…

biopax-level3ChemicalStructure144064
structure data: <cml> <molecule id="Heparan-sulfate-GlcA2S" title="[heparan-sulfate]-2-O-sulfo-beta-D-glucuronate" formalCharge="-1" dictRef="dictHeparan-sulfate-GlcA2S"> <atomArray> <atom id="Heparan-sulfate-GlcA2S-atom1" elementType="O" x2="1303.0" y2="1165.0"/> <atom id="Heparan-sulfate-GlcA2S-atom2" elementType="O" x2="1160.0" y2="1165.0"/> <atom id="Heparan-sulfate-GlcA2S-atom3" elementType="O" x2="1303.0" y2="1329.0"/> <atom id="Heparan-sulfate-GlcA2S-atom4" elementType="O" x2="1161.0" y2="1412.0"/> <atom id="Heparan-sulfate-GlcA2S-atom5" elementType="O" x2="1017.0" y2="1082.0"/> <atom id="Heparan-sulfate-GlcA2S-atom6" elementType="O" x2="946.0" y2="1205.0"/> <atom id="Heparan-sulfate-GlcA2S-atom7" elementType="C" x2="1233.0" y2="1206.0"/> <atom id="Heparan-sulfate-GlcA2S-atom8" elementType="C" x2="1233.0" y2="1288.0"/> <atom id="Heparan-sulfate-GlcA2S-atom9" elementType="C" x2="1089.0" y2="1205.0"/> <atom id="Heparan-sulfate-GlcA2S-atom10" elementType="C" x2="1161.0" y2="1329.0"/> <atom id="Heparan-sulfate-GlcA2S-atom11" elementType="C" x2="1089.0" y2="1287.0"/> <atom id="Heparan-sulfate-GlcA2S-atom12" elementType="C" x2="1017.0" y2="1165.0"/> <atom id="Heparan-sulfate-GlcA2S-atom13" elementType="O" x2="1016.0" y2="1327.0"/> <atom id="Heparan-sulfate-GlcA2S-atom14" elementType="R1" x2="945.0" y2="1368.0"/> <atom id="Heparan-sulfate-GlcA2S-atom15" elementType="R2" x2="1375.0" y2="1123.0"/> <atom id="Heparan-sulfate-GlcA2S-atom16" elementType="S" x2="1385.0" y2="1329.0"/> <atom id="Heparan-sulfate-GlcA2S-atom17" elementType="O" x2="1467.0" y2="1329.0" formalCharge="-1"/> <atom id="Heparan-sulfate-GlcA2S-atom18" elementType="O" x2="1385.0" y2="1247.0"/> <atom id="Heparan-sulfate-GlcA2S-atom19" elementType="O" x2="1385.0" y2="1411.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-GlcA2S-bond1" atomRefs="Heparan-sulfate-GlcA2S-atom7 Heparan-sulfate-GlcA2S-atom1" order="1"/> <bond id="Heparan-sulfate-GlcA2S-bond2" atomRefs="Heparan-sulfate-GlcA2S-atom2 Heparan-sulfate-GlcA2S…

CHEBI CHEBI:64064
structure data: InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2

biopax-level3ChemicalStructure166443
structure data: <atom id="METHYLAMINE-atom1" elementType="N" x2="-413.0" y2="-413.0" formalCharge="1"/> <atom id="METHYLAMINE-atom2" elementType="C" x2="412.0" y2="-413.0"/> <bond id="METHYLAMINE-bond1" atomRefs="METHYLAMINE-atom2 METHYLAMINE-atom1" order="1"/> <formula concise="H 6 C 1 N 1"/> 32.065 C[N+] methanamine

CHEBI CHEBI:15580
structure data: InChI%3D1S%2FC16H26O3%2Fc1-5-16%284%2914%2819-16%2910-9-12%282%297-6-8-13%283%2911-15%2817%2918%2Fh7%2C11%2C14H%2C5-6%2C8-10H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb12-7%2B%2C13-11%2B%2Ft14-%2C16%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure167707
structure data: <atom id="CPD-3186-atom1" elementType="C" x2="3069.0" y2="-508.0"/> <atom id="CPD-3186-atom2" elementType="C" x2="3450.0" y2="-1928.0"/> <atom id="CPD-3186-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3186-atom4" elementType="C" x2="0.0" y2="-413.0"/> <atom id="CPD-3186-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3186-atom6" elementType="C" x2="1429.0" y2="-413.0"/> <atom id="CPD-3186-atom7" elementType="C" x2="3037.0" y2="-2642.0"/> <atom id="CPD-3186-atom8" elementType="C" x2="2230.0" y2="-2471.0"/> <atom id="CPD-3186-atom9" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3186-atom10" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3186-atom11" elementType="N" x2="2898.0" y2="-1315.0" formalCharge="1"/> <atom id="CPD-3186-atom12" elementType="C" x2="2144.0" y2="-1650.0"/> <bond id="CPD-3186-bond1" atomRefs="CPD-3186-atom11 CPD-3186-atom12" order="1"/> <bond id="CPD-3186-bond2" atomRefs="CPD-3186-atom12 CPD-3186-atom10" order="1"/> <bond id="CPD-3186-bond3" atomRefs="CPD-3186-atom8 CPD-3186-atom12" order="1"/> <bond id="CPD-3186-bond4" atomRefs="CPD-3186-atom7 CPD-3186-atom8" order="1"/> <bond id="CPD-3186-bond5" atomRefs="CPD-3186-atom10 CPD-3186-atom6" order="2"/> <bond id="CPD-3186-bond6" atomRefs="CPD-3186-atom6 CPD-3186-atom9" order="1"/> <bond id="CPD-3186-bond7" atomRefs="CPD-3186-atom5 CPD-3186-atom10" order="1"/> <bond id="CPD-3186-bond8" atomRefs="CPD-3186-atom9 CPD-3186-atom4" order="2"/> <bond id="CPD-3186-bond9" atomRefs="CPD-3186-atom3 CPD-3186-atom5" order="2"/> <bond id="CPD-3186-bond10" atomRefs="CPD-3186-atom4 CPD-3186-atom3" order="1"/> <bond id="CPD-3186-bond11" atomRefs="CPD-3186-atom2 CPD-3186-atom11" order="2"/> <bond id="CPD-3186-bond12" atomRefs="CPD-3186-atom2 CPD-3186-atom7" order="1"/> <bond id="CPD-3186-bond13" atomRefs="CPD-3186-atom1 CPD-3186-atom11" order="1"/> <formula concise="H 13 N 2 C 10"/> 161.226 C2(CCC(C1(C=CC=NC=1))[N+](C)=2)

CHEBI CHEBI:28371
structure data: InChI%3D1S%2FC31H46O3%2Fc1-22%282%2912-9-13-23%283%2914-10-15-24%284%2916-11-17-25%285%2920-21-31-29%2833%2927-19-8-7-18-26%2827%2928%2832%2930%2831%2C6%2934-31%2Fh7-8%2C18-20%2C22-24H%2C9-17%2C21H2%2C1-6H3

CHEBI CHEBI:50614
structure data: InChI%3D1S%2FC5H8N2O2%2Fc6-3-4%287%291-2-5%288%299%2Fh4H%2C1-2%2C7H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1

biopax-level3ChemicalStructure136944
structure data: <atom id="S-3-HYDROXYBUTANOYL-COA-atom1" elementType="O" x2="1645000.0" y2="953600.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom2" elementType="O" x2="-927200.0" y2="1725400.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom3" elementType="C" x2="2327200.0" y2="1446900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom4" elementType="C" x2="2077400.0" y2="2221900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom5" elementType="C" x2="1235400.0" y2="2221900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom6" elementType="C" x2="973500.0" y2="1434800.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom7" elementType="C" x2="201000.0" y2="1191900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom8" elementType="P" x2="-2243400.0" y2="1740400.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom9" elementType="O" x2="-2255900.0" y2="933900.0" formalCharge="-1"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom10" elementType="O" x2="-3073000.0" y2="1726200.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom11" elementType="O" x2="-2249100.0" y2="3537000.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom12" elementType="O" x2="-1389400.0" y2="5151800.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom13" elementType="P" x2="-2243400.0" y2="5141300.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom14" elementType="O" x2="-3077500.0" y2="5154600.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom15" elementType="O" x2="-2240000.0" y2="5980000.0" formalCharge="-1"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom16" elementType="C" x2="-677800.0" y2="4740900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom17" elementType="C" x2="36600.0" y2="5153200.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom18" elementType="C" x2="751100.0" y2="4740600.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom19" elementType="C" x2="36800.0" y2="5978200.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom20" elementType="C" x2="28400.0" y2="4240900.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom21" elementType="C" x2="1465600.0" y2="5153000.0"/> <atom id="S-3-HYDROXYBUTANOYL-COA-atom22" elementType="O" x2="750900.0" y2="3915700.0"…

biopax-level3ChemicalStructure127381
structure data: <atom id="GLC-atom1" elementType="O" x2="0.0" y2="-2475.0"/> <atom id="GLC-atom2" elementType="O" x2="3683.0" y2="-2475.0"/> <atom id="GLC-atom3" elementType="O" x2="3683.0" y2="-825.0"/> <atom id="GLC-atom4" elementType="O" x2="2254.0" y2="0.0"/> <atom id="GLC-atom5" elementType="O" x2="825.0" y2="-825.0"/> <atom id="GLC-atom6" elementType="C" x2="825.0" y2="-2475.0"/> <atom id="GLC-atom7" elementType="O" x2="2254.0" y2="-2475.0"/> <atom id="GLC-atom8" elementType="C" x2="2968.0" y2="-2062.0"/> <atom id="GLC-atom9" elementType="C" x2="2968.0" y2="-1238.0"/> <atom id="GLC-atom10" elementType="C" x2="2254.0" y2="-825.0"/> <atom id="GLC-atom11" elementType="C" x2="1539.0" y2="-1238.0"/> <atom id="GLC-atom12" elementType="C" x2="1539.0" y2="-2062.0"/> <bond id="GLC-bond1" atomRefs="GLC-atom11 GLC-atom12" order="1"/> <bond id="GLC-bond2" atomRefs="GLC-atom10 GLC-atom11" order="1"/> <bond id="GLC-bond3" atomRefs="GLC-atom9 GLC-atom10" order="1"/> <bond id="GLC-bond4" atomRefs="GLC-atom8 GLC-atom9" order="1"/> <bond id="GLC-bond5" atomRefs="GLC-atom7 GLC-atom12" order="1"/> <bond id="GLC-bond6" atomRefs="GLC-atom7 GLC-atom8" order="1"/> <bond id="GLC-bond7" atomRefs="GLC-atom12 GLC-atom6" order="1"/> <bond id="GLC-bond8" atomRefs="GLC-atom11 GLC-atom5" order="1"/> <bond id="GLC-bond9" atomRefs="GLC-atom10 GLC-atom4" order="1"/> <bond id="GLC-bond10" atomRefs="GLC-atom9 GLC-atom3" order="1"/> <bond id="GLC-bond11" atomRefs="GLC-atom8 GLC-atom2" order="1"/> <bond id="GLC-bond12" atomRefs="GLC-atom1 GLC-atom6" order="1"/> <formula concise="H 12 C 6 O 6"/> 180.157 C(O)C1(OC(O)C(O)C(O)C(O)1)

CHEBI CHEBI:28552
structure data: InChI%3D1S%2FC5H10O5%2Fc6-2-5%289%294%288%293%287%291-10-5%2Fh3-4%2C6-9H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2Fm1%2Fs1

CHEBI CHEBI:53089
structure data: InChI%3D1S%2FC15H7BrO5%2Fc16-9-5-8%2815%2820%2921%2914%2819%2911-10%289%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C19H%2C%28H%2C20%2C21%29

biopax-level3ChemicalStructure131924
structure data: <atom id="THF-atom1" elementType="N" x2="560.0" y2="-4517.0"/> <atom id="THF-atom2" elementType="O" x2="10617.0" y2="-11408.0"/> <atom id="THF-atom3" elementType="O" x2="9944.0" y2="-7688.0"/> <atom id="THF-atom4" elementType="O" x2="9104.0" y2="-7088.0"/> <atom id="THF-atom5" elementType="O" x2="1961.0" y2="-7008.0"/> <atom id="THF-atom6" elementType="O" x2="9188.0" y2="-11393.0" formalCharge="-1"/> <atom id="THF-atom7" elementType="O" x2="10645.0" y2="-8934.0" formalCharge="-1"/> <atom id="THF-atom8" elementType="C" x2="7686.0" y2="-6247.0"/> <atom id="THF-atom9" elementType="C" x2="6958.0" y2="-7476.0"/> <atom id="THF-atom10" elementType="C" x2="6976.0" y2="-5826.0"/> <atom id="THF-atom11" elementType="C" x2="6248.0" y2="-7056.0"/> <atom id="THF-atom12" elementType="C" x2="9917.0" y2="-10163.0"/> <atom id="THF-atom13" elementType="C" x2="9207.0" y2="-9743.0"/> <atom id="THF-atom14" elementType="C" x2="4128.0" y2="-4970.0"/> <atom id="THF-atom15" elementType="C" x2="4828.0" y2="-6215.0"/> <atom id="THF-atom16" elementType="N" x2="1989.0" y2="-4533.0"/> <atom id="THF-atom17" elementType="N" x2="3418.0" y2="-4549.0"/> <atom id="THF-atom18" elementType="N" x2="8376.0" y2="-8316.0"/> <atom id="THF-atom19" elementType="N" x2="3399.0" y2="-6199.0"/> <atom id="THF-atom20" elementType="C" x2="9907.0" y2="-10988.0"/> <atom id="THF-atom21" elementType="C" x2="9935.0" y2="-8513.0"/> <atom id="THF-atom22" elementType="C" x2="8386.0" y2="-7492.0"/> <atom id="THF-atom23" elementType="C" x2="1270.0" y2="-4938.0"/> <atom id="THF-atom24" elementType="C" x2="7676.0" y2="-7072.0"/> <atom id="THF-atom25" elementType="C" x2="6257.0" y2="-6231.0"/> <atom id="THF-atom26" elementType="C" x2="2699.0" y2="-4954.0"/> <atom id="THF-atom27" elementType="C" x2="2689.0" y2="-5779.0"/> <atom id="THF-atom28" elementType="C" x2="1970.0" y2="-6183.0"/> <atom id="THF-atom29" elementType="C" x2="9216.0" y2="-8918.0"/> <atom id="THF-atom30" elementType="N" x2="5547.0" y2="-5810.0"/> <atom id="THF-atom…

CHEBI CHEBI:60314
structure data: InChI%3D1S%2FC9H17NO6%2Fc1-4%2812%2910-6-8%2814%297%2813%295%283-11%2916-9%286%2915-2%2Fh5-9%2C11%2C13-14H%2C3H2%2C1-2H3%2C%28H%2C10%2C12%29%2Ft5-%2C6-%2C7%2B%2C8-%2C9-%2Fm1%2Fs1

CHEBI CHEBI:16208
structure data: InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)

CHEBI CHEBI:59346
structure data: InChI%3D1S%2FC5H12BNO4S%2Fc7-4%285%288%299%293-12-2-1-6%2810%2911%2Fh4%2C10-11H%2C1-3%2C7H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:15894
structure data: InChI%3D1S%2FC15H24O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11-12H%2C5-6%2C8%2C10H2%2C1-4H3%2Fb14-9%2B%2C15-11%2B

biopax-level3ChemicalStructure157291
structure data: <atom id="VIGABATRIN-atom1" elementType="C" x2="31604.0" y2="3063.0"/> <atom id="VIGABATRIN-atom2" elementType="C" x2="24460.0" y2="7188.0"/> <atom id="VIGABATRIN-atom3" elementType="C" x2="17315.0" y2="3063.0"/> <atom id="VIGABATRIN-atom4" elementType="C" x2="17315.0" y2="-5187.0"/> <atom id="VIGABATRIN-atom5" elementType="C" x2="10171.0" y2="-9312.0"/> <atom id="VIGABATRIN-atom6" elementType="C" x2="38749.0" y2="7188.0"/> <atom id="VIGABATRIN-atom7" elementType="O" x2="45894.0" y2="3063.0" formalCharge="-1"/> <atom id="VIGABATRIN-atom8" elementType="O" x2="38749.0" y2="15438.0"/> <atom id="VIGABATRIN-atom9" elementType="N" x2="10171.0" y2="7188.0" formalCharge="1"/> <bond id="VIGABATRIN-bond1" atomRefs="VIGABATRIN-atom6 VIGABATRIN-atom7" order="1"/> <bond id="VIGABATRIN-bond2" atomRefs="VIGABATRIN-atom6 VIGABATRIN-atom8" order="2"/> <bond id="VIGABATRIN-bond3" atomRefs="VIGABATRIN-atom4 VIGABATRIN-atom5" order="2"/> <bond id="VIGABATRIN-bond4" atomRefs="VIGABATRIN-atom3 VIGABATRIN-atom4" order="1"/> <bond id="VIGABATRIN-bond5" atomRefs="VIGABATRIN-atom3 VIGABATRIN-atom9" order="1"/> <bond id="VIGABATRIN-bond6" atomRefs="VIGABATRIN-atom2 VIGABATRIN-atom3" order="1"/> <bond id="VIGABATRIN-bond7" atomRefs="VIGABATRIN-atom1 VIGABATRIN-atom2" order="1"/> <bond id="VIGABATRIN-bond8" atomRefs="VIGABATRIN-atom6 VIGABATRIN-atom1" order="1"/> <formula concise="H 11 N 1 O 2 C 6"/> 129.158 C=CC(CCC(=O)[O-])[N+]

biopax-level3ChemicalStructure135782
structure data: <atom id="LYS-atom1" elementType="C" x2="1567.0" y2="1148.0"/> <atom id="LYS-atom2" elementType="C" x2="1495.0" y2="1108.0"/> <atom id="LYS-atom3" elementType="C" x2="1635.0" y2="1104.0"/> <atom id="LYS-atom4" elementType="N" x2="1564.0" y2="1231.0" formalCharge="1"/> <atom id="LYS-atom5" elementType="C" x2="1423.0" y2="1150.0"/> <atom id="LYS-atom6" elementType="O" x2="1707.0" y2="1144.0" formalCharge="-1"/> <atom id="LYS-atom7" elementType="O" x2="1637.0" y2="1021.0"/> <atom id="LYS-atom8" elementType="C" x2="1351.0" y2="1110.0"/> <atom id="LYS-atom9" elementType="C" x2="1280.0" y2="1152.0"/> <atom id="LYS-atom10" elementType="N" x2="1208.0" y2="1112.0" formalCharge="1"/> <bond id="LYS-bond1" atomRefs="LYS-atom1 LYS-atom2" order="1"/> <bond id="LYS-bond2" atomRefs="LYS-atom1 LYS-atom3" order="1"/> <bond id="LYS-bond3" atomRefs="LYS-atom1 LYS-atom4" order="1"/> <bond id="LYS-bond4" atomRefs="LYS-atom2 LYS-atom5" order="1"/> <bond id="LYS-bond5" atomRefs="LYS-atom3 LYS-atom6" order="1"/> <bond id="LYS-bond6" atomRefs="LYS-atom3 LYS-atom7" order="2"/> <bond id="LYS-bond7" atomRefs="LYS-atom5 LYS-atom8" order="1"/> <bond id="LYS-bond8" atomRefs="LYS-atom8 LYS-atom9" order="1"/> <bond id="LYS-bond9" atomRefs="LYS-atom9 LYS-atom10" order="1"/> <formula concise="H 15 O 2 N 2 C 6"/> 147.197 C(=O)([O-])C([N+])CCCC[N+]

CHEBI CHEBI:15378
structure data: InChI%3D1S%2Fp%2B1

CHEBI CHEBI:58720
structure data: InChI%3D1S%2FC6H10O7%2Fc7-1-2%288%294%285%2810%2911%2913-6%2812%293%281%299%2Fh1-4%2C6-9%2C12H%2C%28H%2C10%2C11%29%2Fp-1%2Ft1-%2C2-%2C3%2B%2C4-%2C6%3F%2Fm0%2Fs1

CHEBI CHEBI:36655
structure data: InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)/p-1

CHEBI CHEBI:58972
structure data: InChI%3D1S%2FC9H14O2%2Fc1-2-3-4-6-9%2811%297-5-8-10%2Fh5%2C7-8H%2C2-4%2C6H2%2C1H3%2Fb7-5%2B

CHEBI CHEBI:28279
structure data: InChI%3D1S%2FC6H6N4S%2Fc1-11-6-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29

CHEBI CHEBI:16723
structure data: InChI%3D1S%2FC5H8O3S%2Fc1-9-3-2-4%286%295%287%298%2Fh2-3H2%2C1H3%2C%28H%2C7%2C8%29%2Fp-1

biopax-level3ChemicalStructure172133
structure data: <atom id="L-ARABINOSE-atom1" elementType="C" x2="-8448.0" y2="-6760.0"/> <atom id="L-ARABINOSE-atom2" elementType="C" x2="-8603.0" y2="1489.0"/> <atom id="L-ARABINOSE-atom3" elementType="C" x2="-1537.0" y2="5747.0"/> <atom id="L-ARABINOSE-atom4" elementType="C" x2="5684.0" y2="1757.0"/> <atom id="L-ARABINOSE-atom5" elementType="C" x2="5839.0" y2="-6491.0"/> <atom id="L-ARABINOSE-atom6" elementType="O" x2="-1227.0" y2="-10750.0"/> <atom id="L-ARABINOSE-atom7" elementType="O" x2="13060.0" y2="-10481.0"/> <atom id="L-ARABINOSE-atom8" elementType="O" x2="12750.0" y2="6016.0"/> <atom id="L-ARABINOSE-atom9" elementType="O" x2="-1692.0" y2="13996.0"/> <atom id="L-ARABINOSE-atom10" elementType="O" x2="-15824.0" y2="5479.0"/> <bond id="L-ARABINOSE-bond1" atomRefs="L-ARABINOSE-atom1 L-ARABINOSE-atom2" order="1"/> <bond id="L-ARABINOSE-bond2" atomRefs="L-ARABINOSE-atom2 L-ARABINOSE-atom3" order="1"/> <bond id="L-ARABINOSE-bond3" atomRefs="L-ARABINOSE-atom3 L-ARABINOSE-atom4" order="1"/> <bond id="L-ARABINOSE-bond4" atomRefs="L-ARABINOSE-atom4 L-ARABINOSE-atom5" order="1"/> <bond id="L-ARABINOSE-bond5" atomRefs="L-ARABINOSE-atom5 L-ARABINOSE-atom6" order="1"/> <bond id="L-ARABINOSE-bond6" atomRefs="L-ARABINOSE-atom1 L-ARABINOSE-atom6" order="1"/> <bond id="L-ARABINOSE-bond7" atomRefs="L-ARABINOSE-atom5 L-ARABINOSE-atom7" order="1"/> <bond id="L-ARABINOSE-bond8" atomRefs="L-ARABINOSE-atom4 L-ARABINOSE-atom8" order="1"/> <bond id="L-ARABINOSE-bond9" atomRefs="L-ARABINOSE-atom3 L-ARABINOSE-atom9" order="1"/> <bond id="L-ARABINOSE-bond10" atomRefs="L-ARABINOSE-atom2 L-ARABINOSE-atom10" order="1"/> <formula concise="H 10 O 5 C 5"/> 150.131 C1(OC(O)C(O)C(O)C(O)1)

biopax-level3ChemicalStructure161413
structure data: <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom1" elementType="C" x2="6209.0" y2="-2276.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom2" elementType="O" x2="5474.0" y2="-1066.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom3" elementType="O" x2="2031.0" y2="0.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom4" elementType="O" x2="0.0" y2="-4624.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom5" elementType="O" x2="5690.0" y2="-3140.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom6" elementType="O" x2="4264.0" y2="-3962.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom7" elementType="O" x2="3457.0" y2="0.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom8" elementType="O" x2="836.0" y2="-3299.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom9" elementType="O" x2="7116.0" y2="-3962.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom10" elementType="O" x2="4883.0" y2="-792.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom11" elementType="O" x2="2204.0" y2="-2607.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom12" elementType="C" x2="2031.0" y2="-821.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom13" elementType="C" x2="720.0" y2="-5042.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom14" elementType="C" x2="4264.0" y2="-5618.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom15" elementType="N" x2="4883.0" y2="-2478.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom16" elementType="O" x2="7116.0" y2="-5618.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom17" elementType="O" x2="3572.0" y2="-5143.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom18" elementType="O" x2="5690.0" y2="-5618.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom19" elementType="O" x2="2751.0" y2="-2060.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom20" elementType="O" x2="2146.0" y2="-5100.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom21" elementType="O" x2="3486.0" y2="-3284.0"/> <atom id="6-2-N-ACETYL-ETCETERA-MANNOSYL-R-atom22"…

biopax-level3ChemicalStructure170455
structure data: <atom id="CPD-7710-atom1" elementType="C" x2="0.0" y2="-2488.0"/> <atom id="CPD-7710-atom2" elementType="C" x2="714.0" y2="-7026.0"/> <atom id="CPD-7710-atom3" elementType="C" x2="4810.0" y2="-3011.0"/> <atom id="CPD-7710-atom4" elementType="C" x2="2858.0" y2="-2488.0"/> <atom id="CPD-7710-atom5" elementType="C" x2="2858.0" y2="-5788.0"/> <atom id="CPD-7710-atom6" elementType="C" x2="2144.0" y2="-6201.0"/> <atom id="CPD-7710-atom7" elementType="C" x2="3803.0" y2="-4298.0"/> <atom id="CPD-7710-atom8" elementType="C" x2="2727.0" y2="-4309.0"/> <atom id="CPD-7710-atom9" elementType="C" x2="3572.0" y2="-4551.0"/> <atom id="CPD-7710-atom10" elementType="O" x2="714.0" y2="-2076.0"/> <atom id="CPD-7710-atom11" elementType="O" x2="714.0" y2="-6201.0"/> <atom id="CPD-7710-atom12" elementType="C" x2="1429.0" y2="-2488.0"/> <atom id="CPD-7710-atom13" elementType="C" x2="2858.0" y2="-3313.0"/> <atom id="CPD-7710-atom14" elementType="C" x2="1429.0" y2="-4963.0"/> <atom id="CPD-7710-atom15" elementType="C" x2="2858.0" y2="-4963.0"/> <atom id="CPD-7710-atom16" elementType="C" x2="1429.0" y2="-5788.0"/> <atom id="CPD-7710-atom17" elementType="C" x2="2144.0" y2="-4551.0"/> <atom id="CPD-7710-atom18" elementType="N" x2="4398.0" y2="-3726.0" formalCharge="1"/> <atom id="CPD-7710-atom19" elementType="C" x2="2144.0" y2="-2076.0"/> <atom id="CPD-7710-atom20" elementType="C" x2="3572.0" y2="-3726.0"/> <atom id="CPD-7710-atom21" elementType="C" x2="2144.0" y2="-3726.0"/> <atom id="CPD-7710-atom22" elementType="O" x2="777.0" y2="-4269.0"/> <atom id="CPD-7710-atom23" elementType="C" x2="1429.0" y2="-3313.0"/> <bond id="CPD-7710-bond1" atomRefs="CPD-7710-atom22 CPD-7710-atom23" order="1"/> <bond id="CPD-7710-bond2" atomRefs="CPD-7710-atom1 CPD-7710-atom10" order="1"/> <bond id="CPD-7710-bond3" atomRefs="CPD-7710-atom2 CPD-7710-atom11" order="1"/> <bond id="CPD-7710-bond4" atomRefs="CPD-7710-atom3 CPD-7710-atom18" order="1"/> <bond id="CPD-7710-bond5" atomRefs="CPD-7710-atom22 CPD-7710-atom14"…

biopax-level3ChemicalStructure150335
structure data: <atom id="CPD-7649-atom1" elementType="O" x2="-21462.0" y2="-21462.0"/> <atom id="CPD-7649-atom2" elementType="N" x2="21391.0" y2="-5046.0" formalCharge="1"/> <atom id="CPD-7649-atom3" elementType="C" x2="-14285.0" y2="-9166.0"/> <atom id="CPD-7649-atom4" elementType="C" x2="-7106.0" y2="-21462.0"/> <atom id="CPD-7649-atom5" elementType="C" x2="-14285.0" y2="-17339.0"/> <atom id="CPD-7649-atom6" elementType="C" x2="14285.0" y2="-9166.0"/> <atom id="CPD-7649-atom7" elementType="C" x2="0.0" y2="-17339.0"/> <atom id="CPD-7649-atom8" elementType="C" x2="-7106.0" y2="-4975.0"/> <atom id="CPD-7649-atom9" elementType="C" x2="7106.0" y2="-4975.0"/> <atom id="CPD-7649-atom10" elementType="C" x2="0.0" y2="-9166.0"/> <atom id="CPD-7649-atom11" elementType="O" x2="-21391.0" y2="-5046.0"/> <atom id="CPD-7649-atom12" elementType="O" x2="-35013.0" y2="4265.0" formalCharge="-1"/> <atom id="CPD-7649-atom13" elementType="S" x2="-28198.0" y2="-384.0"/> <atom id="CPD-7649-atom14" elementType="O" x2="-32847.0" y2="-7200.0"/> <atom id="CPD-7649-atom15" elementType="O" x2="-23548.0" y2="6431.0"/> <bond id="CPD-7649-bond1" atomRefs="CPD-7649-atom10 CPD-7649-atom8" order="1"/> <bond id="CPD-7649-bond2" atomRefs="CPD-7649-atom9 CPD-7649-atom10" order="1"/> <bond id="CPD-7649-bond3" atomRefs="CPD-7649-atom8 CPD-7649-atom3" order="2"/> <bond id="CPD-7649-bond4" atomRefs="CPD-7649-atom4 CPD-7649-atom7" order="1"/> <bond id="CPD-7649-bond5" atomRefs="CPD-7649-atom7 CPD-7649-atom10" order="2"/> <bond id="CPD-7649-bond6" atomRefs="CPD-7649-atom6 CPD-7649-atom9" order="1"/> <bond id="CPD-7649-bond7" atomRefs="CPD-7649-atom3 CPD-7649-atom5" order="1"/> <bond id="CPD-7649-bond8" atomRefs="CPD-7649-atom5 CPD-7649-atom4" order="2"/> <bond id="CPD-7649-bond9" atomRefs="CPD-7649-atom11 CPD-7649-atom3" order="1"/> <bond id="CPD-7649-bond10" atomRefs="CPD-7649-atom2 CPD-7649-atom6" order="1"/> <bond id="CPD-7649-bond11" atomRefs="CPD-7649-atom1 CPD-7649-atom5" order="1"/> <bond id="CPD-7649-bond12" atomRef…

CHEBI CHEBI:29375
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi%2FhH2

biopax-level3ChemicalStructure157798
structure data: <atom id="CPD-464-atom1" elementType="C" x2="61620.0" y2="384080.0"/> <atom id="CPD-464-atom2" elementType="C" x2="131610.0" y2="427730.0"/> <atom id="CPD-464-atom3" elementType="C" x2="204430.0" y2="388950.0"/> <atom id="CPD-464-atom4" elementType="C" x2="274420.0" y2="432610.0"/> <atom id="CPD-464-atom5" elementType="C" x2="347240.0" y2="393820.0"/> <atom id="CPD-464-atom6" elementType="C" x2="272980.0" y2="516900.0"/> <atom id="CPD-464-atom7" elementType="C" x2="417230.0" y2="437490.0"/> <atom id="CPD-464-atom8" elementType="C" x2="490040.0" y2="398710.0"/> <atom id="CPD-464-atom9" elementType="C" x2="560040.0" y2="442360.0"/> <atom id="CPD-464-atom10" elementType="C" x2="632850.0" y2="403580.0"/> <atom id="CPD-464-atom11" elementType="C" x2="559970.0" y2="529390.0"/> <atom id="CPD-464-atom12" elementType="C" x2="702850.0" y2="447240.0"/> <atom id="CPD-464-atom13" elementType="C" x2="775660.0" y2="408450.0"/> <atom id="CPD-464-atom14" elementType="C" x2="845650.0" y2="452120.0"/> <atom id="CPD-464-atom15" elementType="C" x2="918470.0" y2="413340.0"/> <atom id="CPD-464-atom16" elementType="C" x2="847420.0" y2="536400.0"/> <atom id="CPD-464-atom17" elementType="C" x2="-154390.0" y2="417810.0"/> <atom id="CPD-464-atom18" elementType="C" x2="-224390.0" y2="374140.0"/> <atom id="CPD-464-atom19" elementType="C" x2="-10270.0" y2="422860.0"/> <atom id="CPD-464-atom20" elementType="C" x2="-81190.0" y2="379190.0"/> <atom id="CPD-464-atom21" elementType="C" x2="-10550.0" y2="337320.0"/> <atom id="CPD-464-atom22" elementType="C" x2="-13360.0" y2="265570.0"/> <atom id="CPD-464-atom23" elementType="C" x2="-10630.0" y2="505360.0"/> <atom id="CPD-464-atom24" elementType="O" x2="56410.0" y2="221560.0"/> <atom id="CPD-464-atom25" elementType="P" x2="138870.0" y2="221360.0"/> <atom id="CPD-464-atom26" elementType="O" x2="221370.0" y2="221360.0"/> <atom id="CPD-464-atom27" elementType="O" x2="138770.0" y2="138860.0" formalCharge="-1"/> <atom id="CPD-464-atom28" elementType="O" x2="1…

CHEBI CHEBI:48697
structure data: InChI%3D1S%2FC10H16O%2Fc1-8-4-5-9%286-7-11%2910%288%2C2%293%2Fh4%2C7%2C9H%2C5-6H2%2C1-3H3

CHEBI CHEBI:38244
structure data: InChI%3D1S%2FC17H34O3%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2820-2%2917%2818%2919%2Fh16H%2C3-15H2%2C1-2H3%2C%28H%2C18%2C19%29%2Ft16-%2Fm1%2Fs1

biopax-level3ChemicalStructure174139
structure data: <atom id="CPD-10570-atom1" elementType="C" x2="-309380.0" y2="79550.0"/> <atom id="CPD-10570-atom2" elementType="C" x2="-380820.0" y2="120800.0"/> <atom id="CPD-10570-atom3" elementType="C" x2="-380820.0" y2="203300.0"/> <atom id="CPD-10570-atom4" elementType="C" x2="-309380.0" y2="244560.0"/> <atom id="CPD-10570-atom5" elementType="C" x2="-237930.0" y2="203300.0"/> <atom id="CPD-10570-atom6" elementType="C" x2="-166480.0" y2="244560.0"/> <atom id="CPD-10570-atom7" elementType="C" x2="-95040.0" y2="203300.0"/> <atom id="CPD-10570-atom8" elementType="C" x2="-95040.0" y2="120800.0"/> <atom id="CPD-10570-atom9" elementType="C" x2="-95040.0" y2="-44200.0"/> <atom id="CPD-10570-atom10" elementType="C" x2="-166480.0" y2="-2950.0"/> <atom id="CPD-10570-atom11" elementType="C" x2="111510.0" y2="31480.0"/> <atom id="CPD-10570-atom12" elementType="C" x2="54870.0" y2="-28440.0"/> <atom id="CPD-10570-atom13" elementType="C" x2="-23590.0" y2="-2950.0"/> <atom id="CPD-10570-atom14" elementType="C" x2="-23590.0" y2="79550.0"/> <atom id="CPD-10570-atom15" elementType="C" x2="54870.0" y2="105040.0"/> <atom id="CPD-10570-atom16" elementType="C" x2="56530.0" y2="-110930.0"/> <atom id="CPD-10570-atom17" elementType="C" x2="127980.0" y2="-152180.0"/> <atom id="CPD-10570-atom18" elementType="C" x2="199430.0" y2="-110930.0"/> <atom id="CPD-10570-atom19" elementType="C" x2="270870.0" y2="-152180.0"/> <atom id="CPD-10570-atom20" elementType="C" x2="342320.0" y2="-110930.0"/> <atom id="CPD-10570-atom21" elementType="C" x2="413770.0" y2="-152180.0"/> <atom id="CPD-10570-atom22" elementType="C" x2="342320.0" y2="-28430.0"/> <atom id="CPD-10570-atom23" elementType="C" x2="-14490.0" y2="-152890.0"/> <atom id="CPD-10570-atom24" elementType="C" x2="-25560.0" y2="-85430.0"/> <atom id="CPD-10570-atom25" elementType="C" x2="-237930.0" y2="120800.0"/> <atom id="CPD-10570-atom26" elementType="C" x2="-309380.0" y2="327060.0"/> <atom id="CPD-10570-atom27" elementType="C" x2="-166480.0" y2="79550.0"/> <at…

CHEBI CHEBI:60378
structure data: InChI%3D1S%2FC44H80NO8P%2Fc1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44%2847%2953-42%2841-52-54%2848%2C49%2951-39-38-45%283%2C4%295%2940-50-43%2846%2936-34-32-30-28-26-24-19-17-15-13-11-9-7-2%2Fh14%2C16%2C20-21%2C23%2C25%2C29%2C31%2C42H%2C6-13%2C15%2C17-19%2C22%2C24%2C26-28%2C30%2C32-41H2%2C1-5H3%2Fp%2B1%2Fb16-14-%2C21-20-%2C25-23-%2C31-29-%2Ft42-%2Fm1%2Fs1

CHEBI CHEBI:52742
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-3-2%281-12-14%289%2C10%2911%2913-5%288%294%283%297%2Fh2-8H%2C1H2%2C%28H2%2C9%2C10%2C11%29%2Ft2-%2C3-%2C4-%2C5%3F%2Fm1%2Fs1

CHEBI CHEBI:59707
structure data: InChI%3D1S%2FC19H29NO%2Fc21-19%2818-11-5-6-12-18%2C17-9-3-1-4-10-17%2913-16-20-14-7-2-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2%2Ft19-%2Fm1%2Fs1

biopax-level3ChemicalStructure173904
structure data: <atom id="4-3-PYRIDYL-BUTANOATE-atom1" elementType="O" x2="4287.0" y2="-2888.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom2" elementType="O" x2="3572.0" y2="-1650.0" formalCharge="-1"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom4" elementType="C" x2="0.0" y2="-412.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom6" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom7" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom8" elementType="C" x2="2858.0" y2="-2888.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom9" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom11" elementType="C" x2="3572.0" y2="-2475.0"/> <atom id="4-3-PYRIDYL-BUTANOATE-atom12" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond1" atomRefs="4-3-PYRIDYL-BUTANOATE-atom9 4-3-PYRIDYL-BUTANOATE-atom12" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond2" atomRefs="4-3-PYRIDYL-BUTANOATE-atom8 4-3-PYRIDYL-BUTANOATE-atom11" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond3" atomRefs="4-3-PYRIDYL-BUTANOATE-atom7 4-3-PYRIDYL-BUTANOATE-atom9" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond4" atomRefs="4-3-PYRIDYL-BUTANOATE-atom7 4-3-PYRIDYL-BUTANOATE-atom8" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond5" atomRefs="4-3-PYRIDYL-BUTANOATE-atom12 4-3-PYRIDYL-BUTANOATE-atom6" order="2"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond6" atomRefs="4-3-PYRIDYL-BUTANOATE-atom6 4-3-PYRIDYL-BUTANOATE-atom10" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond7" atomRefs="4-3-PYRIDYL-BUTANOATE-atom5 4-3-PYRIDYL-BUTANOATE-atom12" order="1"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond8" atomRefs="4-3-PYRIDYL-BUTANOATE-atom10 4-3-PYRIDYL-BUTANOATE-atom4" order="2"/> <bond id="4-3-PYRIDYL-BUTANOATE-bond9" atomRefs="4-3-PYRIDY…

CHEBI CHEBI:17148
structure data: InChI%3D1S%2FC4H12N2%2Fc5-3-1-2-4-6%2Fh1-6H2

biopax-level3ChemicalStructure155684
structure data: <atom id="RIBOFLAVIN-atom1" elementType="C" x2="2760.0" y2="204580.0"/> <atom id="RIBOFLAVIN-atom2" elementType="C" x2="-225310.0" y2="-170020.0"/> <atom id="RIBOFLAVIN-atom3" elementType="O" x2="84320.0" y2="276460.0"/> <atom id="RIBOFLAVIN-atom4" elementType="C" x2="2760.0" y2="64970.0"/> <atom id="RIBOFLAVIN-atom5" elementType="O" x2="-77410.0" y2="134080.0"/> <atom id="RIBOFLAVIN-atom6" elementType="N" x2="221170.0" y2="-170020.0" formalCharge="-1"/> <atom id="RIBOFLAVIN-atom7" elementType="C" x2="2760.0" y2="134080.0"/> <atom id="RIBOFLAVIN-atom8" elementType="O" x2="291660.0" y2="-48380.0"/> <atom id="RIBOFLAVIN-atom9" elementType="C" x2="-147910.0" y2="-212870.0"/> <atom id="RIBOFLAVIN-atom10" elementType="C" x2="-147910.0" y2="-44230.0"/> <atom id="RIBOFLAVIN-atom11" elementType="C" x2="2760.0" y2="276460.0"/> <atom id="RIBOFLAVIN-atom12" elementType="C" x2="221170.0" y2="-87080.0"/> <atom id="RIBOFLAVIN-atom13" elementType="O" x2="146520.0" y2="-293050.0"/> <atom id="RIBOFLAVIN-atom14" elementType="C" x2="-77410.0" y2="-170020.0"/> <atom id="RIBOFLAVIN-atom15" elementType="C" x2="52530.0" y2="8290.0"/> <atom id="RIBOFLAVIN-atom16" elementType="N" x2="146520.0" y2="-44230.0"/> <atom id="RIBOFLAVIN-atom17" elementType="C" x2="-293050.0" y2="-42850.0"/> <atom id="RIBOFLAVIN-atom18" elementType="C" x2="146520.0" y2="-212870.0"/> <atom id="RIBOFLAVIN-atom19" elementType="C" x2="-291660.0" y2="-215640.0"/> <atom id="RIBOFLAVIN-atom20" elementType="C" x2="76020.0" y2="-170020.0"/> <atom id="RIBOFLAVIN-atom21" elementType="O" x2="-77410.0" y2="204580.0"/> <atom id="RIBOFLAVIN-atom22" elementType="O" x2="-77410.0" y2="64970.0"/> <atom id="RIBOFLAVIN-atom23" elementType="C" x2="-225310.0" y2="-87080.0"/> <atom id="RIBOFLAVIN-atom24" elementType="N" x2="0.0" y2="-212870.0"/> <atom id="RIBOFLAVIN-atom25" elementType="N" x2="0.0" y2="-44230.0"/> <atom id="RIBOFLAVIN-atom26" elementType="C" x2="76020.0" y2="-87080.0"/> <atom id="RIBOFLAVIN-atom27" elementType="C" x2="-77…

CHEBI CHEBI:39579
structure data: InChI%3D1S%2FC21H22N2O5%2Fc24-9-10-27-15-23-13-18%2820%2825%2922-21%2823%2926%2911-17-7-4-8-19%2812-17%2928-14-16-5-2-1-3-6-16%2Fh1-8%2C12-13%2C24H%2C9-11%2C14-15H2%2C%28H%2C22%2C25%2C26%29

CHEBI CHEBI:30563
structure data: InChI%3D1S%2FO2Si%2Fc1-3-2

CHEBI CHEBI:16530
structure data: InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

CHEBI CHEBI:27056
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29%2Fp-1%2Fb6-5%2B

CHEBI CHEBI:42147
structure data: InChI%3D1S%2FC4H8O2S2%2Fc5-3-1-7-8-2-4%283%296%2Fh3-6H%2C1-2H2%2Ft3-%2C4-%2Fm0%2Fs1

CHEBI CHEBI:15740
structure data: InChI%3D1S%2FCH2O2%2Fc2-1-3%2Fh1H%2C%28H%2C2%2C3%29%2Fp-1

biopax-level3ChemicalStructure134041
structure data: <atom id="CPD66-27-atom1" elementType="C" x2="14419.0" y2="-31979.0"/> <atom id="CPD66-27-atom2" elementType="O" x2="27570.0" y2="-32076.0"/> <atom id="CPD66-27-atom3" elementType="C" x2="13152.0" y2="-7427.0"/> <atom id="CPD66-27-atom4" elementType="C" x2="21044.0" y2="-27691.0"/> <atom id="CPD66-27-atom5" elementType="C" x2="-9159.0" y2="-12103.0"/> <atom id="CPD66-27-atom6" elementType="O" x2="-30285.0" y2="8382.0"/> <atom id="CPD66-27-atom7" elementType="C" x2="13152.0" y2="-15026.0"/> <atom id="CPD66-27-atom8" elementType="C" x2="-1753.0" y2="8162.0"/> <atom id="CPD66-27-atom9" elementType="C" x2="-9159.0" y2="-4211.0"/> <atom id="CPD66-27-atom10" elementType="C" x2="13152.0" y2="-22917.0"/> <atom id="CPD66-27-atom11" elementType="C" x2="-9159.0" y2="3874.0"/> <atom id="CPD66-27-atom12" elementType="C" x2="5455.0" y2="-4211.0"/> <atom id="CPD66-27-atom13" elementType="C" x2="-24550.0" y2="-4211.0"/> <atom id="CPD66-27-atom14" elementType="C" x2="-1753.0" y2="-16000.0"/> <atom id="CPD66-27-atom15" elementType="C" x2="5748.0" y2="-19898.0"/> <atom id="CPD66-27-atom16" elementType="C" x2="28741.0" y2="-15026.0"/> <atom id="CPD66-27-atom17" elementType="C" x2="5455.0" y2="3874.0"/> <atom id="CPD66-27-atom18" elementType="C" x2="-16952.0" y2="-7427.0"/> <atom id="CPD66-27-atom19" elementType="C" x2="-16952.0" y2="8162.0"/> <atom id="CPD66-27-atom20" elementType="C" x2="-24550.0" y2="3874.0"/> <atom id="CPD66-27-atom21" elementType="C" x2="28741.0" y2="-7427.0"/> <atom id="CPD66-27-atom22" elementType="C" x2="21044.0" y2="-19606.0"/> <atom id="CPD66-27-atom23" elementType="C" x2="-1753.0" y2="-7427.0"/> <atom id="CPD66-27-atom24" elementType="O" x2="28546.0" y2="-23037.0"/> <bond id="CPD66-27-bond1" atomRefs="CPD66-27-atom23 CPD66-27-atom14" order="1"/> <bond id="CPD66-27-bond2" atomRefs="CPD66-27-atom22 CPD66-27-atom7" order="1"/> <bond id="CPD66-27-bond3" atomRefs="CPD66-27-atom21 CPD66-27-atom3" order="1"/> <bond id="CPD66-27-bond4" atomRefs="CPD66-27-atom20 CPD66…

CHEBI CHEBI:27398
structure data: InChI%3D1S%2FC5H6N2O%2Fc8-2-1-5-3-6-4-7-5%2Fh2-4H%2C1H2%2C%28H%2C6%2C7%29

CHEBI CHEBI:60779
structure data: InChI%3D1S%2FC41H42N4O8%2Fc1-9-23-20%282%2929-17-34-27-13-10-26%2839%2849%2952-7%2938%2840%2850%2953-8%2941%2827%2C5%2935%2845-34%2919-30-22%284%2924%2811-14-36%2846%2947%2932%2844-30%2918-33-25%2812-15-37%2848%2951-6%2921%283%2928%2843-33%2916-31%2823%2942-29%2Fh9-10%2C13%2C16-19%2C38%2C43%2C45H%2C1%2C11-12%2C14-15H2%2C2-8H3%2C%28H%2C46%2C47%29%2Fb31-16-%2C32-18-%2C34-17-%2C35-19-%2Ft38-%2C41%2B%2Fm1%2Fs1

CHEBI CHEBI:41607
structure data: InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3%2Fb3-2%2B

CHEBI CHEBI:16871
structure data: InChI%3D1S%2FC8H7NO3%2Fc1-4-7%2810%296-5%282-9-4%293-12-8%286%2911%2Fh2%2C10H%2C3H2%2C1H3

CHEBI CHEBI:28733
structure data: InChI%3D1S%2FC27H52NO7P%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27%2830%2933-24-26%2829%2925-35-36%2831%2C32%2934-23-22-28%282%2C3%294%2Fh10-11%2C13-14%2C26%2C29H%2C5-9%2C12%2C15-25H2%2C1-4H3%2Fb11-10-%2C14-13-%2Ft26-%2Fm1%2Fs1

biopax-level3ChemicalStructure138184
structure data: <atom id="5-HYDROXY-TRYPTOPHAN-atom1" elementType="C" x2="11690.0" y2="-41660.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom2" elementType="C" x2="-130840.0" y2="-41660.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom3" elementType="C" x2="11690.0" y2="-124260.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom4" elementType="C" x2="60670.0" y2="124990.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom5" elementType="O" x2="-75290.0" y2="169580.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom6" elementType="C" x2="-20470.0" y2="108180.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom7" elementType="O" x2="-203200.0" y2="-2190.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom8" elementType="N" x2="86250.0" y2="202470.0" formalCharge="1"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom9" elementType="C" x2="116950.0" y2="65050.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom10" elementType="O" x2="-46050.0" y2="29970.0" formalCharge="-1"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom11" elementType="N" x2="89170.0" y2="-149840.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom12" elementType="C" x2="-59210.0" y2="-165190.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom13" elementType="C" x2="-59210.0" y2="-730.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom14" elementType="C" x2="89170.0" y2="-16810.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom15" elementType="C" x2="-130840.0" y2="-124260.0"/> <atom id="5-HYDROXY-TRYPTOPHAN-atom16" elementType="C" x2="137420.0" y2="-84060.0"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond1" atomRefs="5-HYDROXY-TRYPTOPHAN-atom16 5-HYDROXY-TRYPTOPHAN-atom14" order="2"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond2" atomRefs="5-HYDROXY-TRYPTOPHAN-atom15 5-HYDROXY-TRYPTOPHAN-atom2" order="2"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond3" atomRefs="5-HYDROXY-TRYPTOPHAN-atom14 5-HYDROXY-TRYPTOPHAN-atom1" order="1"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond4" atomRefs="5-HYDROXY-TRYPTOPHAN-atom13 5-HYDROXY-TRYPTOPHAN-atom1" order="2"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond5" atomRefs="5-HYDROXY-TRYPTOPHAN-atom12 5-HYDROXY-TRYPTOPHAN-atom15" order="1"/> <bond id="5-HYDROXY-TRYPTOPHAN-bond6…

CHEBI CHEBI:63465
structure data: InChI%3D1S%2FC30H50O%2Fc1-23%282%2913-9-14-25%285%2915-10-16-26%286%2917-11-21-30%288%2927%287%2919-20-28%2824%283%294%2929%2830%2918-12-22-31%2Fh13%2C15%2C17%2C22%2C27%2C29H%2C9-12%2C14%2C16%2C18-21H2%2C1-8H3%2Fb25-15%2B%2C26-17%2B%2Ft27-%2C29-%2C30-%2Fm1%2Fs1

CHEBI CHEBI:65114
structure data: InChI%3D1S%2FC7H6O5%2Fc8-5%287%2810%2911%293-4-1-2-6%289%2912-4%2Fh3H%2C1-2H2%2C%28H%2C10%2C11%29%2Fb4-3-

biopax-level3ChemicalStructure138264
structure data: <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom1" elementType="C" x2="711780.0" y2="-238500.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom2" elementType="C" x2="-145490.0" y2="-238500.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom3" elementType="C" x2="-216940.0" y2="-114760.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom4" elementType="C" x2="426010.0" y2="-238500.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom5" elementType="C" x2="140270.0" y2="-238500.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom6" elementType="C" x2="853600.0" y2="8050.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom7" elementType="O" x2="999940.0" y2="93990.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom8" elementType="O" x2="999140.0" y2="-238680.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom9" elementType="C" x2="783220.0" y2="-114760.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom10" elementType="C" x2="1215660.0" y2="-30900.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom11" elementType="C" x2="1215660.0" y2="-114320.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom12" elementType="C" x2="1144230.0" y2="10350.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom13" elementType="C" x2="1144230.0" y2="-156480.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom14" elementType="C" x2="568910.0" y2="-156020.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom15" elementType="C" x2="-2620.0" y2="-156020.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom16" elementType="C" x2="283150.0" y2="-156020.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom17" elementType="C" x2="854660.0" y2="-156020.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom18" elementType="C" x2="640340.0" y2="-114760.0"/> <atom id="23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ-atom19" elementType="C" x2="-74060.0" y2="-114760.0"/…

CHEBI CHEBI:50673
structure data: InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29

CHEBI CHEBI:50452
structure data: InChI%3D1S%2FC10H18O3%2Fc1-7%282%299%286-10%2812%2913%295-4-8%283%2911%2Fh8-9%2C11H%2C1%2C4-6H2%2C2-3H3%2C%28H%2C12%2C13%29

CHEBI CHEBI:15854
structure data: InChI%3D1S%2FC20H24N2O2%2Fc1-3-13-12-22-9-7-14%2813%2910-19%2822%2920%2823%2916-6-8-21-18-5-4-15%2824-2%2911-17%2816%2918%2Fh3-6%2C8%2C11%2C13-14%2C19-20%2C23H%2C1%2C7%2C9-10%2C12H2%2C2H3%2Ft13-%2C14-%2C19-%2C20%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure156656
structure data: <cml> <molecule id="2-3-4-Saturated-L-Phosphatidates" title="a 2,3,4-saturated L-phosphatidate" formalCharge="-2" dictRef="dict2-3-4-Saturated-L-Phosphatidates"> <atomArray> <atom id="2-3-4-Saturated-L-Phosphatidates-atom1" elementType="O" x2="34830.0" y2="-51610.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom2" elementType="C" x2="41980.0" y2="-47480.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom3" elementType="C" x2="49120.0" y2="-51610.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom4" elementType="O" x2="56270.0" y2="-47480.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom5" elementType="C" x2="49120.0" y2="-59860.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom6" elementType="C" x2="63410.0" y2="-51610.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom7" elementType="O" x2="63410.0" y2="-59860.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom8" elementType="C" x2="27690.0" y2="-47480.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom9" elementType="C" x2="20540.0" y2="-51610.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom10" elementType="O" x2="27690.0" y2="-39240.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom11" elementType="O" x2="41980.0" y2="-63980.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom12" elementType="P" x2="41980.0" y2="-72240.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom13" elementType="O" x2="33690.0" y2="-72190.0" formalCharge="-1"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom14" elementType="O" x2="50190.0" y2="-72190.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom15" elementType="O" x2="41830.0" y2="-80710.0" formalCharge="-1"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom16" elementType="C" x2="70560.0" y2="-47480.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom17" elementType="C" x2="13395.0" y2="-47485.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom18" elementType="C" x2="6251.0" y2="-51610.0"/> <atom id="2-3-4-Saturated-L-Phosphatidates-atom19" elementType="R" x2="-…

CHEBI CHEBI:18344
structure data: InChI%3D1S%2FC10H7NO3%2Fc12-9-5-8%2810%2813%2914%2911-7-4-2-1-3-6%287%299%2Fh1-5H%2C%28H%2C11%2C12%29%28H%2C13%2C14%29

CHEBI CHEBI:57844
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:16643
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:421707
structure data: InChI%3D1S%2FC14H18N6O%2Fc15-14-18-12%2817-9-2-3-9%2911-13%2819-14%2920%287-16-11%2910-4-1-8%285-10%296-21%2Fh1%2C4%2C7-10%2C21H%2C2-3%2C5-6H2%2C%28H3%2C15%2C17%2C18%2C19%29%2Ft8-%2C10%2B%2Fm1%2Fs1

CHEBI CHEBI:11563
structure data: InChI%3D1S%2FC5H11O7P%2Fc6-2-4-3%287%291-5%2811-4%2912-13%288%2C9%2910%2Fh3-7H%2C1-2H2%2C%28H2%2C8%2C9%2C10%29%2Ft3-%2C4%2B%2C5%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure139563
structure data: <atom id="CPD-11932-atom1" elementType="P" x2="1249.0" y2="2162.0"/> <atom id="CPD-11932-atom2" elementType="O" x2="1331.0" y2="2160.0"/> <atom id="CPD-11932-atom3" elementType="P" x2="1412.0" y2="2160.0"/> <atom id="CPD-11932-atom4" elementType="O" x2="1499.0" y2="2160.0"/> <atom id="CPD-11932-atom5" elementType="O" x2="1412.0" y2="2076.0" formalCharge="-1"/> <atom id="CPD-11932-atom6" elementType="O" x2="1409.0" y2="2241.0"/> <atom id="CPD-11932-atom7" elementType="P" x2="1581.0" y2="2160.0"/> <atom id="CPD-11932-atom8" elementType="O" x2="1664.0" y2="2160.0"/> <atom id="CPD-11932-atom9" elementType="O" x2="1581.0" y2="2076.0" formalCharge="-1"/> <atom id="CPD-11932-atom10" elementType="O" x2="1581.0" y2="2241.0"/> <atom id="CPD-11932-atom11" elementType="P" x2="1746.0" y2="2160.0"/> <atom id="CPD-11932-atom12" elementType="O" x2="1828.0" y2="2160.0"/> <atom id="CPD-11932-atom13" elementType="O" x2="1746.0" y2="2076.0" formalCharge="-1"/> <atom id="CPD-11932-atom14" elementType="O" x2="1746.0" y2="2241.0"/> <atom id="CPD-11932-atom15" elementType="P" x2="1911.0" y2="2160.0"/> <atom id="CPD-11932-atom16" elementType="O" x2="1994.0" y2="2160.0"/> <atom id="CPD-11932-atom17" elementType="O" x2="1911.0" y2="2076.0" formalCharge="-1"/> <atom id="CPD-11932-atom18" elementType="O" x2="1911.0" y2="2241.0"/> <atom id="CPD-11932-atom19" elementType="C" x2="2051.0" y2="2102.0"/> <atom id="CPD-11932-atom20" elementType="C" x2="2132.0" y2="2124.0"/> <atom id="CPD-11932-atom21" elementType="O" x2="2197.0" y2="2072.0"/> <atom id="CPD-11932-atom22" elementType="C" x2="2161.0" y2="2202.0"/> <atom id="CPD-11932-atom23" elementType="C" x2="2265.0" y2="2119.0"/> <atom id="CPD-11932-atom24" elementType="C" x2="2242.0" y2="2200.0"/> <atom id="CPD-11932-atom25" elementType="O" x2="2109.0" y2="2276.0"/> <atom id="CPD-11932-atom26" elementType="N" x2="2314.0" y2="1994.0"/> <atom id="CPD-11932-atom27" elementType="O" x2="2303.0" y2="2286.0"/> <atom id="CPD-11932-atom28" elementType="C" x2=…

biopax-level3ChemicalStructure160306
structure data: <atom id="CPD-11404-atom1" elementType="C" x2="15321.0" y2="-25928.0"/> <atom id="CPD-11404-atom2" elementType="C" x2="8177.0" y2="-21803.0"/> <atom id="CPD-11404-atom3" elementType="C" x2="8177.0" y2="-13553.0"/> <atom id="CPD-11404-atom4" elementType="C" x2="15321.0" y2="-9428.0"/> <atom id="CPD-11404-atom5" elementType="C" x2="22465.0" y2="-13553.0"/> <atom id="CPD-11404-atom6" elementType="C" x2="22465.0" y2="-21803.0"/> <atom id="CPD-11404-atom7" elementType="O" x2="1032.0" y2="-9429.0"/> <atom id="CPD-11404-atom8" elementType="C" x2="1032.0" y2="-1179.0"/> <atom id="CPD-11404-atom9" elementType="C" x2="-6113.0" y2="2947.0"/> <atom id="CPD-11404-atom10" elementType="C" x2="-6113.0" y2="11197.0"/> <atom id="CPD-11404-atom11" elementType="C" x2="1032.0" y2="15322.0"/> <atom id="CPD-11404-atom12" elementType="C" x2="8177.0" y2="11197.0"/> <atom id="CPD-11404-atom13" elementType="C" x2="8177.0" y2="2947.0"/> <atom id="CPD-11404-atom14" elementType="C" x2="1032.0" y2="23571.0"/> <atom id="CPD-11404-atom15" elementType="C" x2="-5474.0" y2="28644.0"/> <atom id="CPD-11404-atom16" elementType="O" x2="-4333.0" y2="36815.0" formalCharge="-1"/> <atom id="CPD-11404-atom17" elementType="O" x2="-13120.0" y2="25547.0"/> <atom id="CPD-11404-atom18" elementType="O" x2="29610.0" y2="-25928.0"/> <atom id="CPD-11404-atom19" elementType="I" x2="29610.0" y2="-9429.0"/> <atom id="CPD-11404-atom20" elementType="I" x2="15321.0" y2="-1178.0"/> <atom id="CPD-11404-atom21" elementType="I" x2="-13257.0" y2="-1178.0"/> <bond id="CPD-11404-bond1" atomRefs="CPD-11404-atom1 CPD-11404-atom2" order="2"/> <bond id="CPD-11404-bond2" atomRefs="CPD-11404-atom2 CPD-11404-atom3" order="1"/> <bond id="CPD-11404-bond3" atomRefs="CPD-11404-atom3 CPD-11404-atom4" order="2"/> <bond id="CPD-11404-bond4" atomRefs="CPD-11404-atom4 CPD-11404-atom5" order="1"/> <bond id="CPD-11404-bond5" atomRefs="CPD-11404-atom5 CPD-11404-atom6" order="2"/> <bond id="CPD-11404-bond6" atomRefs="CPD-11404-atom1 CPD-11404-atom6" o…

CHEBI CHEBI:37084
structure data: InChI%3D1S%2FC5H10O3%2Fc1-5%282%2C8%293-4%286%297%2Fh8H%2C3H2%2C1-2H3%2C%28H%2C6%2C7%29

biopax-level3ChemicalStructure161797
structure data: <atom id="CPD66-21-atom1" elementType="C" x2="24958.0" y2="-11625.0"/> <atom id="CPD66-21-atom2" elementType="C" x2="17814.0" y2="-7500.0"/> <atom id="CPD66-21-atom3" elementType="C" x2="10668.0" y2="-11625.0"/> <atom id="CPD66-21-atom4" elementType="C" x2="3523.0" y2="-7500.0"/> <atom id="CPD66-21-atom5" elementType="C" x2="-3622.0" y2="-11625.0"/> <atom id="CPD66-21-atom6" elementType="C" x2="-17912.0" y2="-11625.0"/> <atom id="CPD66-21-atom7" elementType="C" x2="-25057.0" y2="-7500.0"/> <atom id="CPD66-21-atom8" elementType="C" x2="-32201.0" y2="-11625.0"/> <atom id="CPD66-21-atom9" elementType="C" x2="-39347.0" y2="-7500.0"/> <atom id="CPD66-21-atom10" elementType="C" x2="-45608.0" y2="-11878.0"/> <atom id="CPD66-21-atom11" elementType="C" x2="-52295.0" y2="-7894.0"/> <atom id="CPD66-21-atom12" elementType="C" x2="-52113.0" y2="-477.0"/> <atom id="CPD66-21-atom13" elementType="C" x2="-58934.0" y2="3313.0"/> <atom id="CPD66-21-atom14" elementType="C" x2="-65806.0" y2="-657.0"/> <atom id="CPD66-21-atom15" elementType="C" x2="-66096.0" y2="-8040.0"/> <atom id="CPD66-21-atom16" elementType="C" x2="-72773.0" y2="-12210.0"/> <atom id="CPD66-21-atom17" elementType="C" x2="-79795.0" y2="-7881.0"/> <atom id="CPD66-21-atom18" elementType="C" x2="-87056.0" y2="-11799.0"/> <atom id="CPD66-21-atom19" elementType="C" x2="-94080.0" y2="-7470.0"/> <atom id="CPD66-21-atom20" elementType="O" x2="-11704.0" y2="-18564.0"/> <atom id="CPD66-21-atom21" elementType="O" x2="24958.0" y2="-19876.0"/> <atom id="CPD66-21-atom22" elementType="O" x2="32103.0" y2="-7500.0" formalCharge="-1"/> <atom id="CPD66-21-atom23" elementType="C" x2="-10766.0" y2="-7500.0"/> <atom id="CPD66-21-atom24" elementType="C" x2="-2429.0" y2="9685.0"/> <atom id="CPD66-21-atom25" elementType="C" x2="3135.0" y2="15899.0"/> <atom id="CPD66-21-atom26" elementType="C" x2="10279.0" y2="20025.0"/> <atom id="CPD66-21-atom27" elementType="C" x2="24570.0" y2="20025.0"/> <atom id="CPD66-21-atom28" elementType="C" x2="31714.0…

CHEBI CHEBI:40520
structure data: InChI%3D1S%2FC6H14BNO4%2Fc8-5%286%289%2910%293-1-2-4-7%2811%2912%2Fh5%2C11-12H%2C1-4%2C8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:10217
structure data: InChI%3D1S%2FC15H26O%2Fc1-10-5-6-11-13%282%2C3%2912-9-15%2810%2C11%298-7-14%2812%2C4%2916%2Fh10-12%2C16H%2C5-9H2%2C1-4H3%2Ft10-%2C11%2B%2C12-%2C14-%2C15%2B%2Fm1%2Fs1

CHEBI CHEBI:36659
structure data: InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-4%2C8%2C10-11H%2C5H2%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:60724
structure data: InChI%3D1S%2FC38H75O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37%2841%2945-33-36%2834-47-49%2843%2C44%2946-32-35%2840%2931-39%2948-38%2842%2930-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh35-36%2C39-40H%2C3-34H2%2C1-2H3%2C%28H%2C43%2C44%29

CHEBI CHEBI:16236
structure data: InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3

CHEBI CHEBI:1060
structure data: InChI%3D1S%2FC5H8O5%2Fc6-2-3%287%291-4%288%295%289%2910%2Fh3%2C6-7H%2C1-2H2%2C%28H%2C9%2C10%29%2Ft3-%2Fm0%2Fs1

CHEBI CHEBI:57446
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-13-16-19%2824-23%2917-14-11-9-7-5-4-6-8-10-12-15-18-20%2821%2922%2Fh4-5%2C8-11%2C14%2C17%2C19%2C23H%2C2-3%2C6-7%2C12-13%2C15-16%2C18H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb5-4-%2C10-8-%2C11-9-%2C17-14%2B%2Ft19-%2Fm0%2Fs1

CHEBI CHEBI:17924
structure data: InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure161975
structure data: <cml> <molecule id="Cholesterol-esters" title="a cholesterol ester" formalCharge="0" dictRef="dictCholesterol-esters"> <atomArray> <atom id="Cholesterol-esters-atom1" elementType="C" x2="1655620.0" y2="-686640.0"/> <atom id="Cholesterol-esters-atom2" elementType="C" x2="1537540.0" y2="-483800.0"/> <atom id="Cholesterol-esters-atom3" elementType="C" x2="951500.0" y2="-689120.0"/> <atom id="Cholesterol-esters-atom4" elementType="C" x2="588010.0" y2="-341770.0"/> <atom id="Cholesterol-esters-atom5" elementType="C" x2="947110.0" y2="-551810.0"/> <atom id="Cholesterol-esters-atom6" elementType="O" x2="118330.0" y2="-205880.0"/> <atom id="Cholesterol-esters-atom7" elementType="R" x2="0.0" y2="-3180.0"/> <atom id="Cholesterol-esters-atom8" elementType="C" x2="708290.0" y2="-470.0"/> <atom id="Cholesterol-esters-atom9" elementType="C" x2="1303310.0" y2="-620140.0"/> <atom id="Cholesterol-esters-atom10" elementType="C" x2="827990.0" y2="-68690.0"/> <atom id="Cholesterol-esters-atom11" elementType="C" x2="1420900.0" y2="-687480.0"/> <atom id="Cholesterol-esters-atom12" elementType="C" x2="1186200.0" y2="-688290.0"/> <atom id="Cholesterol-esters-atom13" elementType="C" x2="1188040.0" y2="-415180.0"/> <atom id="Cholesterol-esters-atom14" elementType="C" x2="1187570.0" y2="-276350.0"/> <atom id="Cholesterol-esters-atom15" elementType="C" x2="352370.0" y2="-206260.0"/> <atom id="Cholesterol-esters-atom16" elementType="C" x2="706100.0" y2="-414650.0"/> <atom id="Cholesterol-esters-atom17" elementType="C" x2="469720.0" y2="-274010.0"/> <atom id="Cholesterol-esters-atom18" elementType="C" x2="826290.0" y2="-484700.0"/> <atom id="Cholesterol-esters-atom19" elementType="C" x2="469720.0" y2="0.0"/> <atom id="Cholesterol-esters-atom20" elementType="O" x2="234700.0" y2="-2060.0"/> <atom id="Cholesterol-esters-atom21" elementType="C" x2="117670.0" y2="-70370.0"/> <atom id="Cholesterol-esters-atom22" elementType="C" x2="588590.0" y2="-69250.0"/> <atom id="Cholesterol-esters-atom23" element…

CHEBI CHEBI:225237
structure data: InChI%3D1S%2FC8H11N%2Fc9-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7%2C9H2%2Fp%2B1

biopax-level3ChemicalStructure130115
structure data: <atom id="NAD-atom1" elementType="N" x2="0.0" y2="-17074.0"/> <atom id="NAD-atom2" elementType="N" x2="115524.0" y2="-54130.0"/> <atom id="NAD-atom3" elementType="O" x2="7143.0" y2="-4696.0"/> <atom id="NAD-atom4" elementType="O" x2="88800.0" y2="-22764.0"/> <atom id="NAD-atom5" elementType="O" x2="72335.0" y2="-22824.0"/> <atom id="NAD-atom6" elementType="O" x2="108566.0" y2="-2961.0"/> <atom id="NAD-atom7" elementType="O" x2="52084.0" y2="0.0"/> <atom id="NAD-atom8" elementType="O" x2="126520.0" y2="-2914.0"/> <atom id="NAD-atom9" elementType="O" x2="34131.0" y2="0.0"/> <atom id="NAD-atom10" elementType="O" x2="88776.0" y2="-6348.0" formalCharge="-1"/> <atom id="NAD-atom11" elementType="O" x2="72306.0" y2="-6324.0" formalCharge="-1"/> <atom id="NAD-atom12" elementType="C" x2="21436.0" y2="-29446.0"/> <atom id="NAD-atom13" elementType="C" x2="14292.0" y2="-25324.0"/> <atom id="NAD-atom14" elementType="C" x2="108440.0" y2="-33473.0"/> <atom id="NAD-atom15" elementType="C" x2="28585.0" y2="-25324.0"/> <atom id="NAD-atom16" elementType="C" x2="135458.0" y2="-37583.0"/> <atom id="NAD-atom17" elementType="C" x2="21436.0" y2="-12946.0"/> <atom id="NAD-atom18" elementType="C" x2="103128.0" y2="-20006.0"/> <atom id="NAD-atom19" elementType="C" x2="56912.0" y2="-18672.0"/> <atom id="NAD-atom20" elementType="N" x2="108440.0" y2="-41770.0"/> <atom id="NAD-atom21" elementType="N" x2="115548.0" y2="-29279.0"/> <atom id="NAD-atom22" elementType="N" x2="130648.0" y2="-44325.0"/> <atom id="NAD-atom23" elementType="O" x2="97008.0" y2="-14538.0"/> <atom id="NAD-atom24" elementType="O" x2="64074.0" y2="-14574.0"/> <atom id="NAD-atom25" elementType="O" x2="117510.0" y2="-22213.0"/> <atom id="NAD-atom26" elementType="O" x2="43105.0" y2="-19372.0"/> <atom id="NAD-atom27" elementType="O" x2="80585.0" y2="-14556.0"/> <atom id="NAD-atom28" elementType="C" x2="7143.0" y2="-12946.0"/> <atom id="NAD-atom29" elementType="C" x2="115548.0" y2="-45874.0"/> <atom id="NAD-atom30" elementType="C" x2…

biopax-level3ChemicalStructure131863
structure data: <atom id="THF-GLU-N-atom1" elementType="H" x2="37499.0" y2="-40114.0"/> <atom id="THF-GLU-N-atom2" elementType="H" x2="0.0" y2="-17216.0"/> <atom id="THF-GLU-N-atom3" elementType="H" x2="43295.0" y2="-8789.0"/> <atom id="THF-GLU-N-atom4" elementType="N" x2="627.0" y2="0.0"/> <atom id="THF-GLU-N-atom5" elementType="O" x2="91329.0" y2="-58698.0"/> <atom id="THF-GLU-N-atom6" elementType="O" x2="89858.0" y2="-16075.0"/> <atom id="THF-GLU-N-atom7" elementType="O" x2="74222.0" y2="-17551.0"/> <atom id="THF-GLU-N-atom8" elementType="O" x2="14342.0" y2="-25661.0"/> <atom id="THF-GLU-N-atom9" elementType="C" x2="62721.0" y2="-38199.0"/> <atom id="THF-GLU-N-atom10" elementType="C" x2="62721.0" y2="-23890.0"/> <atom id="THF-GLU-N-atom11" elementType="C" x2="54163.0" y2="-38199.0"/> <atom id="THF-GLU-N-atom12" elementType="C" x2="54606.0" y2="-23890.0"/> <atom id="THF-GLU-N-atom13" elementType="C" x2="90890.0" y2="-44243.0"/> <atom id="THF-GLU-N-atom14" elementType="C" x2="94576.0" y2="-37461.0"/> <atom id="THF-GLU-N-atom15" elementType="C" x2="36023.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom16" elementType="C" x2="40890.0" y2="-21531.0"/> <atom id="THF-GLU-N-atom17" elementType="N" x2="14342.0" y2="-883.0"/> <atom id="THF-GLU-N-atom18" elementType="N" x2="29088.0" y2="-883.0"/> <atom id="THF-GLU-N-atom19" elementType="N" x2="82630.0" y2="-30824.0"/> <atom id="THF-GLU-N-atom20" elementType="N" x2="29088.0" y2="-17252.0"/> <atom id="THF-GLU-N-atom21" elementType="C" x2="95315.0" y2="-51177.0"/> <atom id="THF-GLU-N-atom22" elementType="C" x2="94282.0" y2="-23302.0"/> <atom id="THF-GLU-N-atom23" elementType="C" x2="74222.0" y2="-26104.0"/> <atom id="THF-GLU-N-atom24" elementType="C" x2="7409.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom25" elementType="C" x2="66700.0" y2="-31117.0"/> <atom id="THF-GLU-N-atom26" elementType="C" x2="50183.0" y2="-30973.0"/> <atom id="THF-GLU-N-atom27" elementType="C" x2="21863.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom28" elementType="C" x2="21863.0" y…

biopax-level3ChemicalStructure144021
structure data: <atom id="CPD-259-atom1" elementType="C" x2="-16526.0" y2="4151.0"/> <atom id="CPD-259-atom2" elementType="C" x2="-16526.0" y2="-4099.0"/> <atom id="CPD-259-atom3" elementType="C" x2="-9440.0" y2="-8329.0"/> <atom id="CPD-259-atom4" elementType="C" x2="-2248.0" y2="-4099.0"/> <atom id="CPD-259-atom5" elementType="C" x2="-2248.0" y2="4151.0"/> <atom id="CPD-259-atom6" elementType="C" x2="-9440.0" y2="8276.0"/> <atom id="CPD-259-atom7" elementType="O" x2="-9440.0" y2="16474.0"/> <atom id="CPD-259-atom8" elementType="N" x2="-9440.0" y2="-16526.0"/> <bond id="CPD-259-bond1" atomRefs="CPD-259-atom6 CPD-259-atom7" order="1"/> <bond id="CPD-259-bond2" atomRefs="CPD-259-atom6 CPD-259-atom5" order="2"/> <bond id="CPD-259-bond3" atomRefs="CPD-259-atom5 CPD-259-atom4" order="1"/> <bond id="CPD-259-bond4" atomRefs="CPD-259-atom4 CPD-259-atom3" order="2"/> <bond id="CPD-259-bond5" atomRefs="CPD-259-atom3 CPD-259-atom8" order="1"/> <bond id="CPD-259-bond6" atomRefs="CPD-259-atom3 CPD-259-atom2" order="1"/> <bond id="CPD-259-bond7" atomRefs="CPD-259-atom2 CPD-259-atom1" order="2"/> <bond id="CPD-259-bond8" atomRefs="CPD-259-atom1 CPD-259-atom6" order="1"/> <formula concise="H 7 N 1 O 1 C 6"/> 109.127 C1(C(=CC=C(C=1)N)O)

CHEBI CHEBI:58375
structure data: InChI%3D1S%2FC5H9NO3%2Fc7-3-1-4%285%288%299%296-2-3%2Fh3-4%2C6-7H%2C1-2H2%2C%28H%2C8%2C9%29%2Ft3-%2C4%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure138588
structure data: <atom id="CPD-641-atom1" elementType="C" x2="5775.0" y2="29793.0"/> <atom id="CPD-641-atom2" elementType="C" x2="12920.0" y2="25668.0"/> <atom id="CPD-641-atom3" elementType="C" x2="12920.0" y2="17417.0"/> <atom id="CPD-641-atom4" elementType="O" x2="3341.0" y2="20029.0"/> <atom id="CPD-641-atom5" elementType="C" x2="5775.0" y2="38043.0"/> <atom id="CPD-641-atom6" elementType="O" x2="-1383.0" y2="42143.0" formalCharge="-1"/> <atom id="CPD-641-atom7" elementType="O" x2="12935.0" y2="42145.0"/> <atom id="CPD-641-atom8" elementType="C" x2="19830.0" y2="30174.0"/> <atom id="CPD-641-atom9" elementType="C" x2="27188.0" y2="26444.0"/> <atom id="CPD-641-atom10" elementType="O" x2="34098.0" y2="30951.0"/> <atom id="CPD-641-atom11" elementType="P" x2="42304.0" y2="30938.0"/> <atom id="CPD-641-atom12" elementType="O" x2="42297.0" y2="22688.0" formalCharge="-1"/> <atom id="CPD-641-atom13" elementType="O" x2="42267.0" y2="39188.0"/> <atom id="CPD-641-atom14" elementType="P" x2="58621.0" y2="30938.0"/> <atom id="CPD-641-atom15" elementType="O" x2="66872.0" y2="30938.0" formalCharge="-1"/> <atom id="CPD-641-atom16" elementType="O" x2="58615.0" y2="22688.0" formalCharge="-1"/> <atom id="CPD-641-atom17" elementType="O" x2="58584.0" y2="39188.0"/> <atom id="CPD-641-atom18" elementType="O" x2="50371.0" y2="30938.0"/> <bond id="CPD-641-bond1" atomRefs="CPD-641-atom14 CPD-641-atom17" order="2"/> <bond id="CPD-641-bond2" atomRefs="CPD-641-atom14 CPD-641-atom16" order="1"/> <bond id="CPD-641-bond3" atomRefs="CPD-641-atom14 CPD-641-atom15" order="1"/> <bond id="CPD-641-bond4" atomRefs="CPD-641-atom18 CPD-641-atom14" order="1"/> <bond id="CPD-641-bond5" atomRefs="CPD-641-atom11 CPD-641-atom13" order="2"/> <bond id="CPD-641-bond6" atomRefs="CPD-641-atom11 CPD-641-atom12" order="1"/> <bond id="CPD-641-bond7" atomRefs="CPD-641-atom11 CPD-641-atom18" order="1"/> <bond id="CPD-641-bond8" atomRefs="CPD-641-atom10 CPD-641-atom11" order="1"/> <bond id="CPD-641-bond9" atomRefs="CPD-641-atom9 CPD-641…

CHEBI CHEBI:37946
structure data: InChI%3D1S%2FC8H11NO5S%2Fc9-4-3-6-1-2-7%2810%298%285-6%2914-15%2811%2C12%2913%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%2C%28H%2C11%2C12%2C13%29

biopax-level3ChemicalStructure174363
structure data: <cml> <molecule id="2R-HYDROXY-FATTY-ACIDS" title="a 2(R)-hydroxy fatty acid" formalCharge="-1" dictRef="dict2R-HYDROXY-FATTY-ACIDS"> <atomArray> <atom id="2R-HYDROXY-FATTY-ACIDS-atom1" elementType="C" x2="-2950.0" y2="-1366.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom2" elementType="O" x2="3715.0" y2="11198.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom3" elementType="O" x2="-11254.0" y2="3497.0" formalCharge="-1"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom4" elementType="O" x2="-2950.0" y2="-11254.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom5" elementType="C" x2="11199.0" y2="-1366.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom6" elementType="C" x2="3715.0" y2="3497.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom7" elementType="C" x2="18343.0" y2="2759.0"/> <atom id="2R-HYDROXY-FATTY-ACIDS-atom8" elementType="R" x2="25488.0" y2="-1366.0"/> </atomArray> <bondArray> <bond id="2R-HYDROXY-FATTY-ACIDS-bond1" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom6 2R-HYDROXY-FATTY-ACIDS-atom2" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond2" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom6 2R-HYDROXY-FATTY-ACIDS-atom5" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond3" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom4 2R-HYDROXY-FATTY-ACIDS-atom1" order="2"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond4" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom3 2R-HYDROXY-FATTY-ACIDS-atom1" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond5" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom1 2R-HYDROXY-FATTY-ACIDS-atom6" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond6" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom5 2R-HYDROXY-FATTY-ACIDS-atom7" order="1"/> <bond id="2R-HYDROXY-FATTY-ACIDS-bond7" atomRefs="2R-HYDROXY-FATTY-ACIDS-atom7 2R-HYDROXY-FATTY-ACIDS-atom8" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])CC(C([O-])=O)O</string> </molecule> </cml>

CHEBI CHEBI:39250
structure data: InChI%3D1S%2FC15H30O2%2Fc1-14%282%2912-10-8-6-4-3-5-7-9-11-13-15%2816%2917%2Fh14H%2C3-13H2%2C1-2H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:64198
structure data: InChI%3D1S%2FC3H8OS2%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2

CHEBI CHEBI:32644
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Fp-1

CHEBI CHEBI:57633
structure data: InChI%3D1S%2FC12H11NO3%2Fc1-7%2811%2814%2912%2815%2916%299-6-13-10-5-3-2-4-8%289%2910%2Fh2-7%2C13H%2C1H3%2C%28H%2C15%2C16%29%2Fp-1%2Ft7-%2Fm0%2Fs1

CHEBI CHEBI:30314
structure data: InChI%3D1S%2FC8H14O2S2%2Fc9-8%2810%294-2-1-3-7-5-6-11-12-7%2Fh7H%2C1-6H2%2C%28H%2C9%2C10%29%2Ft7-%2Fm1%2Fs1

CHEBI CHEBI:28563
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:16755
structure data: InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-21%2827%2928%2917-5-6-18-22-19%289-11-24%2817%2C18%293%2923%282%2910-8-16%2825%2912-15%2823%2913-20%2822%2926%2Fh14-20%2C22%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15%2B%2C16-%2C17-%2C18%2B%2C19%2B%2C20-%2C22%2B%2C23%2B%2C24-%2Fm1%2Fs1

CHEBI CHEBI:60653
structure data: InChI%3D1S%2FC44H86NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43%2846%2950-40-42%2841-52-54%2848%2C49%2951-39-38-45%283%2C4%295%2953-44%2847%2937-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2%2Fh21%2C23%2C42H%2C6-20%2C22%2C24-41H2%2C1-5H3%2Fp%2B1%2Fb23-21-%2Ft42-%2Fm1%2Fs1

biopax-level3ChemicalStructure161286
structure data: <cml> <molecule id="Hyaluronan-NAc-glucosaminide" title="N-acetyl-alpha-D-glucosaminide-[hyaluronan]" formalCharge="0" dictRef="dictHyaluronan-NAc-glucosaminide"> <atomArray> <atom id="Hyaluronan-NAc-glucosaminide-atom1" elementType="O" x2="-2567.0" y2="1456.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom2" elementType="O" x2="-4002.0" y2="1456.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom3" elementType="O" x2="-3977.0" y2="4038.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom4" elementType="O" x2="-5419.0" y2="3106.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom5" elementType="O" x2="-6052.0" y2="1988.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom6" elementType="O" x2="-816.0" y2="3312.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom7" elementType="N" x2="-2240.0" y2="3297.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom8" elementType="Hyaluronan" x2="-1369.0" y2="554.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom9" elementType="C" x2="-3279.0" y2="1866.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom10" elementType="C" x2="-3279.0" y2="2693.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom11" elementType="C" x2="-4002.0" y2="3106.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom12" elementType="C" x2="-4714.0" y2="2693.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom13" elementType="C" x2="-4714.0" y2="1866.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom14" elementType="C" x2="-5419.0" y2="1456.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom15" elementType="C" x2="-1532.0" y2="3718.0"/> <atom id="Hyaluronan-NAc-glucosaminide-atom16" elementType="C" x2="-1546.0" y2="4538.0"/> </atomArray> <bondArray> <bond id="Hyaluronan-NAc-glucosaminide-bond1" atomRefs="Hyaluronan-NAc-glucosaminide-atom1 Hyaluronan-NAc-glucosaminide-atom8" order="1"/> <bond id="Hyaluronan-NAc-glucosaminide-bond2" atomRefs="Hyaluronan-NAc-glucosaminide-atom9 Hyaluronan-NAc-glucosaminide-atom1" order="1"/> <bond id="Hyaluronan-NAc-glucosaminide-bond3" atomRefs="Hyaluronan-NAc-glucosaminide…

CHEBI CHEBI:62301
structure data: InChI%3D1S%2FC11H21NO8%2Fc1-5%2815%2912-8-6%2816%292-11%2819%2C4-14%2920-10%288%299%2818%297%2817%293-13%2Fh6-10%2C13-14%2C16-19H%2C2-4H2%2C1H3%2C%28H%2C12%2C15%29%2Ft6-%2C7%2B%2C8%2B%2C9%2B%2C10%2B%2C11-%2Fm0%2Fs1

CHEBI CHEBI:32221
structure data: InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2911-7-8-12%2818-11%2913%2815%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29

biopax-level3ChemicalStructure167236
structure data: <atom id="CPD-8610-atom1" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="CPD-8610-atom2" elementType="C" x2="8883.0" y2="-3418.0"/> <atom id="CPD-8610-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="CPD-8610-atom4" elementType="C" x2="2013.0" y2="0.0"/> <atom id="CPD-8610-atom5" elementType="C" x2="846.0" y2="0.0"/> <atom id="CPD-8610-atom6" elementType="C" x2="2143.0" y2="-2646.0"/> <atom id="CPD-8610-atom7" elementType="C" x2="4405.0" y2="-3910.0"/> <atom id="CPD-8610-atom8" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-8610-atom9" elementType="C" x2="7524.0" y2="-3860.0"/> <atom id="CPD-8610-atom10" elementType="C" x2="6718.0" y2="-3688.0"/> <atom id="CPD-8610-atom11" elementType="C" x2="3573.0" y2="-996.0"/> <atom id="CPD-8610-atom12" elementType="C" x2="2889.0" y2="-3090.0"/> <atom id="CPD-8610-atom13" elementType="C" x2="6165.0" y2="-4301.0"/> <atom id="CPD-8610-atom14" elementType="C" x2="5103.0" y2="-2010.0"/> <atom id="CPD-8610-atom15" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-8610-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-8610-atom17" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="CPD-8610-atom18" elementType="C" x2="3604.0" y2="-3503.0"/> <atom id="CPD-8610-atom19" elementType="C" x2="1429.0" y2="-2234.0"/> <atom id="CPD-8610-atom20" elementType="C" x2="8077.0" y2="-3246.0"/> <atom id="CPD-8610-atom21" elementType="C" x2="3604.0" y2="-1852.0"/> <atom id="CPD-8610-atom22" elementType="C" x2="2889.0" y2="-2265.0"/> <atom id="CPD-8610-atom23" elementType="C" x2="5358.0" y2="-4130.0"/> <atom id="CPD-8610-atom24" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-8610-atom25" elementType="C" x2="4319.0" y2="-2265.0"/> <atom id="CPD-8610-atom26" elementType="C" x2="5103.0" y2="-3345.0"/> <atom id="CPD-8610-atom27" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-8610-atom28" elementType="C" x2="1429.0" y2="-583.0"/> <atom id="CPD-8610-atom29" elementType="C" x2="2143.0" y2="-1821.0"/>…

CHEBI CHEBI:2181
structure data: InChI%3D1S%2FC6H12O5%2Fc1-2-3%287%294%288%295%289%296%2810%2911-2%2Fh2-10H%2C1H3%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6%3F%2Fm0%2Fs1

CHEBI CHEBI:33101
structure data: InChI%3D1S%2FNO2%2Fc2-1-3

CHEBI CHEBI:57259
structure data: InChI%3D1S%2FC5H11O7P%2Fc6-2-4-3%287%291-5%2811-4%2912-13%288%2C9%2910%2Fh3-7H%2C1-2H2%2C%28H2%2C8%2C9%2C10%29%2Fp-2%2Ft3-%2C4%2B%2C5%2B%2Fm0%2Fs1

CHEBI CHEBI:48281
structure data: InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3%2Ft11-%2Fm0%2Fs1

CHEBI CHEBI:19591
structure data: InChI%3D1S%2FC6H10O%2Fc1-2-3-4-5-6-7%2Fh4-6H%2C2-3H2%2C1H3

CHEBI CHEBI:63982
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-9-13-18%2821%2914-10-7-8-11-15-19%2822%2916-12-17-20%2823%2924%2Fh6-11%2C14-15%2C18-19%2C21-22H%2C2-5%2C12-13%2C16-17H2%2C1H3%2C%28H%2C23%2C24%29%2Fb8-7%2B%2C9-6-%2C14-10%2B%2C15-11%2B%2Ft18-%2C19%2B%2Fm0%2Fs1

CHEBI CHEBI:33722
structure data: InChI%3D1S%2F4Fe.4S%2Fq%3B%3B2*%2B1%3B%3B%3B%3B

biopax-level3ChemicalStructure170408
structure data: <cml> <molecule id="CPD-8900" title="protein N6,N6-dimethyl-L-lysine" formalCharge="1" dictRef="dictCPD-8900"> <atomArray> <atom id="CPD-8900-atom1" elementType="Protein" x2="-18562.0" y2="4714.0"/> <atom id="CPD-8900-atom2" elementType="N" x2="-11418.0" y2="589.0"/> <atom id="CPD-8900-atom3" elementType="C" x2="-4273.0" y2="4714.0"/> <atom id="CPD-8900-atom4" elementType="C" x2="2872.0" y2="589.0"/> <atom id="CPD-8900-atom5" elementType="C" x2="10016.0" y2="4714.0"/> <atom id="CPD-8900-atom6" elementType="C" x2="17161.0" y2="589.0"/> <atom id="CPD-8900-atom7" elementType="C" x2="24306.0" y2="4714.0"/> <atom id="CPD-8900-atom8" elementType="C" x2="31450.0" y2="589.0"/> <atom id="CPD-8900-atom9" elementType="N" x2="38595.0" y2="4714.0" formalCharge="1"/> <atom id="CPD-8900-atom10" elementType="C" x2="45740.0" y2="589.0"/> <atom id="CPD-8900-atom11" elementType="O" x2="-4273.0" y2="12964.0"/> <atom id="CPD-8900-atom12" elementType="N" x2="2872.0" y2="-7661.0"/> <atom id="CPD-8900-atom13" elementType="C" x2="-2962.0" y2="-13494.0"/> <atom id="CPD-8900-atom14" elementType="Protein" x2="-2962.0" y2="-21744.0"/> <atom id="CPD-8900-atom15" elementType="O" x2="-10107.0" y2="-9369.0"/> <atom id="CPD-8900-atom16" elementType="C" x2="38595.0" y2="12964.0"/> </atomArray> <bondArray> <bond id="CPD-8900-bond1" atomRefs="CPD-8900-atom1 CPD-8900-atom2" order="1"/> <bond id="CPD-8900-bond2" atomRefs="CPD-8900-atom2 CPD-8900-atom3" order="1"/> <bond id="CPD-8900-bond3" atomRefs="CPD-8900-atom3 CPD-8900-atom4" order="1"/> <bond id="CPD-8900-bond4" atomRefs="CPD-8900-atom4 CPD-8900-atom5" order="1"/> <bond id="CPD-8900-bond5" atomRefs="CPD-8900-atom5 CPD-8900-atom6" order="1"/> <bond id="CPD-8900-bond6" atomRefs="CPD-8900-atom6 CPD-8900-atom7" order="1"/> <bond id="CPD-8900-bond7" atomRefs="CPD-8900-atom7 CPD-8900-atom8" order="1"/> <bond id="CPD-8900-bond8" atomRefs="CPD-8900-atom8 CPD-8900-atom9" order="1"/> <bond id="CPD-8900-bond9" atomRefs="CPD-8900-atom9 CPD-8900-atom10" order="1…

CHEBI CHEBI:17823
structure data: InChI%3D1S%2FC27H44O3%2Fc1-18%288-6-14-26%283%2C4%2930%2923-12-13-24-20%289-7-15-27%2823%2C24%295%2910-11-21-16-22%2828%2917-25%2829%2919%2821%292%2Fh10-11%2C18%2C22-25%2C28-30H%2C2%2C6-9%2C12-17H2%2C1%2C3-5H3%2Fb20-10%2B%2C21-11-%2Ft18-%2C22-%2C23-%2C24%2B%2C25%2B%2C27-%2Fm1%2Fs1

biopax-level3ChemicalStructure150455
structure data: <cml> <molecule id="Heparan-Glc-N-3-6-trisulfate" title="[heparan sulfate]-alpha-D-N-sulfoglucosamine-3,6-O-bissulfate" formalCharge="-3" dictRef="dictHeparan-Glc-N-3-6-trisulfate"> <atomArray> <atom id="Heparan-Glc-N-3-6-trisulfate-atom1" elementType="O" x2="-259290.0" y2="-106070.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom2" elementType="C" x2="-330730.0" y2="-64820.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom3" elementType="C" x2="-330730.0" y2="17680.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom4" elementType="C" x2="-259290.0" y2="58930.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom5" elementType="C" x2="-187840.0" y2="17680.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom6" elementType="C" x2="-187840.0" y2="-64820.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom7" elementType="O" x2="-116390.0" y2="-106070.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom8" elementType="N" x2="-129500.0" y2="76020.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom9" elementType="O" x2="-259290.0" y2="141430.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom10" elementType="O" x2="-402180.0" y2="58930.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom11" elementType="C" x2="-389070.0" y2="-123160.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom12" elementType="O" x2="-460520.0" y2="-81910.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom13" elementType="R1" x2="-116390.0" y2="-188570.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom14" elementType="R2" x2="-402180.0" y2="141430.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom15" elementType="S" x2="-47000.0" y2="76020.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom16" elementType="O" x2="35500.0" y2="76020.0" formalCharge="-1"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom17" elementType="O" x2="-47000.0" y2="-6480.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom18" elementType="O" x2="-47000.0" y2="158520.0"/> <atom id="Heparan-Glc-N-3-6-trisulfate-atom19" elementType="S" x2="-543020.0" y2="-81910.0"/> <atom id="Heparan-…

CHEBI CHEBI:52288
structure data: InChI%3D1S%2FC21H41O7P%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21%2823%2927-18-20%2822%2919-28-29%2824%2C25%2926%2Fh9-10%2C20%2C22H%2C2-8%2C11-19H2%2C1H3%2C%28H2%2C24%2C25%2C26%29

biopax-level3ChemicalStructure126784
structure data: <atom id="PRO-atom1" elementType="N" x2="-23866.0" y2="1125.0" formalCharge="1"/> <atom id="PRO-atom2" elementType="C" x2="-30541.0" y2="-3724.0"/> <atom id="PRO-atom3" elementType="C" x2="-27992.0" y2="-11570.0"/> <atom id="PRO-atom4" elementType="C" x2="-19741.0" y2="-11570.0"/> <atom id="PRO-atom5" elementType="C" x2="-17192.0" y2="-3724.0"/> <atom id="PRO-atom6" elementType="C" x2="-9223.0" y2="-1589.0"/> <atom id="PRO-atom7" elementType="O" x2="-3390.0" y2="-7423.0" formalCharge="-1"/> <atom id="PRO-atom8" elementType="O" x2="-7088.0" y2="6380.0"/> <bond id="PRO-bond1" atomRefs="PRO-atom1 PRO-atom2" order="1"/> <bond id="PRO-bond2" atomRefs="PRO-atom2 PRO-atom3" order="1"/> <bond id="PRO-bond3" atomRefs="PRO-atom3 PRO-atom4" order="1"/> <bond id="PRO-bond4" atomRefs="PRO-atom4 PRO-atom5" order="1"/> <bond id="PRO-bond5" atomRefs="PRO-atom1 PRO-atom5" order="1"/> <bond id="PRO-bond6" atomRefs="PRO-atom5 PRO-atom6" order="1"/> <bond id="PRO-bond7" atomRefs="PRO-atom6 PRO-atom7" order="1"/> <bond id="PRO-bond8" atomRefs="PRO-atom6 PRO-atom8" order="2"/> <formula concise="H 9 O 2 C 5 N 1"/> 115.132 C(=O)([O-])C1([N+]CCC1)

CHEBI CHEBI:50625
structure data: InChI%3D1S%2FC5H12O%2Fc1-3-5%282%294-6%2Fh5-6H%2C3-4H2%2C1-2H3%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:15725
structure data: InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2

CHEBI CHEBI:6343
structure data: InChI%3D1S%2FC19H24N2O3%2Fc1-13%287-8-14-5-3-2-4-6-14%2921-12-18%2823%2915-9-10-17%2822%2916%2811-15%2919%2820%2924%2Fh2-6%2C9-11%2C13%2C18%2C21-23H%2C7-8%2C12H2%2C1H3%2C%28H2%2C20%2C24%29

CHEBI CHEBI:38746
structure data: InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3

CHEBI CHEBI:28047
structure data: InChI%3D1S%2FC27H48O2%2Fc1-17%282%297-6-8-18%283%2921-9-10-22-25-23%2812-14-27%2821%2C22%295%2926%284%2913-11-20%2828%2915-19%2826%2916-24%2825%2929%2Fh17-25%2C28-29H%2C6-16H2%2C1-5H3%2Ft18-%2C19%2B%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:48682
structure data: InChI%3D1S%2FC16H26O%2Fc1-11-5-10-15%2816%2811%2C3%294%2914-8-6-13%287-9-14%2912%282%2917%2Fh5%2C8%2C12-13%2C15%2C17H%2C6-7%2C9-10H2%2C1-4H3

CHEBI CHEBI:58147
structure data: InChI%3D1S%2FC10H9NO4%2Fc11-7-4-2-1-3-6%287%298%2812%295-9%2813%2910%2814%2915%2Fh1-4H%2C5%2C11H2%2C%28H%2C14%2C15%29%2Fp-1

CHEBI CHEBI:48597
structure data: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-2

CHEBI CHEBI:28474
structure data: InChI%3D1S%2FC5H8N2O2%2Fc6-3-4%287%291-2-5%288%299%2Fh4H%2C1-2%2C7H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:16074
structure data: InChI%3D1S%2FC27H46O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh18-20%2C22-25H%2C6-17H2%2C1-5H3%2Ft19-%2C20-%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:39251
structure data: InChI%3D1S%2FC15H30O2%2Fc1-3-14%282%2912-10-8-6-4-5-7-9-11-13-15%2816%2917%2Fh14H%2C3-13H2%2C1-2H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:32361
structure data: InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29%2Fp-1

biopax-level3ChemicalStructure174557
structure data: <atom id="CPD-11670-atom1" elementType="C" x2="-200360.0" y2="-47140.0"/> <atom id="CPD-11670-atom2" elementType="C" x2="-271800.0" y2="-5890.0"/> <atom id="CPD-11670-atom3" elementType="C" x2="-271800.0" y2="76610.0"/> <atom id="CPD-11670-atom4" elementType="C" x2="-200360.0" y2="117860.0"/> <atom id="CPD-11670-atom5" elementType="C" x2="-50450.0" y2="-31390.0"/> <atom id="CPD-11670-atom6" elementType="C" x2="-128910.0" y2="-5890.0"/> <atom id="CPD-11670-atom7" elementType="C" x2="-128910.0" y2="76610.0"/> <atom id="CPD-11670-atom8" elementType="N" x2="-50450.0" y2="102100.0"/> <atom id="CPD-11670-atom9" elementType="C" x2="-1960.0" y2="35360.0"/> <atom id="CPD-11670-atom10" elementType="O" x2="-343250.0" y2="-47140.0"/> <atom id="CPD-11670-atom11" elementType="C" x2="-24950.0" y2="-109850.0"/> <atom id="CPD-11670-atom12" elementType="C" x2="55740.0" y2="-127000.0"/> <atom id="CPD-11670-atom13" elementType="S" x2="122490.0" y2="-175500.0"/> <atom id="CPD-11670-atom14" elementType="N" x2="81230.0" y2="-48550.0"/> <atom id="CPD-11670-atom15" elementType="C" x2="163740.0" y2="-48550.0"/> <atom id="CPD-11670-atom16" elementType="C" x2="189230.0" y2="-127000.0"/> <atom id="CPD-11670-atom17" elementType="C" x2="212230.0" y2="18200.0"/> <atom id="CPD-11670-atom18" elementType="O" x2="294280.0" y2="9570.0"/> <atom id="CPD-11670-atom19" elementType="O" x2="178670.0" y2="93570.0"/> <bond id="CPD-11670-bond1" atomRefs="CPD-11670-atom1 CPD-11670-atom2" order="1"/> <bond id="CPD-11670-bond2" atomRefs="CPD-11670-atom2 CPD-11670-atom3" order="2"/> <bond id="CPD-11670-bond3" atomRefs="CPD-11670-atom3 CPD-11670-atom4" order="1"/> <bond id="CPD-11670-bond4" atomRefs="CPD-11670-atom4 CPD-11670-atom7" order="2"/> <bond id="CPD-11670-bond5" atomRefs="CPD-11670-atom1 CPD-11670-atom6" order="2"/> <bond id="CPD-11670-bond6" atomRefs="CPD-11670-atom5 CPD-11670-atom6" order="1"/> <bond id="CPD-11670-bond7" atomRefs="CPD-11670-atom7 CPD-11670-atom8" order="1"/> <bond id="CPD-11670-bond8" ato…

biopax-level3ChemicalStructure150472
structure data: <cml> <molecule id="Heparan-sulfate-D-GlcNS" title="[heparan sulfate]-alpha-D-N-sulfoglucosamine" formalCharge="-1" dictRef="dictHeparan-sulfate-D-GlcNS"> <atomArray> <atom id="Heparan-sulfate-D-GlcNS-atom1" elementType="O" x2="-5801.0" y2="-7064.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom2" elementType="C" x2="-12945.0" y2="-2939.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom3" elementType="C" x2="-12945.0" y2="5312.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom4" elementType="C" x2="-5801.0" y2="9437.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom5" elementType="C" x2="1344.0" y2="5312.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom6" elementType="C" x2="1344.0" y2="-2939.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom7" elementType="O" x2="-20085.0" y2="9437.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom8" elementType="C" x2="-20085.0" y2="-7064.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom9" elementType="O" x2="8489.0" y2="-7064.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom10" elementType="O" x2="-5801.0" y2="17683.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom11" elementType="N" x2="8489.0" y2="9437.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom12" elementType="O" x2="-27230.0" y2="-2939.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom13" elementType="S" x2="16736.0" y2="9437.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom14" elementType="O" x2="24986.0" y2="9437.0" formalCharge="-1"/> <atom id="Heparan-sulfate-D-GlcNS-atom15" elementType="O" x2="16736.0" y2="1187.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom16" elementType="O" x2="16736.0" y2="17684.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom17" elementType="R1" x2="8489.0" y2="-15314.0"/> <atom id="Heparan-sulfate-D-GlcNS-atom18" elementType="R2" x2="-20085.0" y2="17687.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-D-GlcNS-bond1" atomRefs="Heparan-sulfate-D-GlcNS-atom1 Heparan-sulfate-D-GlcNS-atom2" order="1"/> <bond id="Heparan-sulfate-D-GlcNS-bond2" atomRefs="Heparan-sulfate-D-GlcNS-atom2 Heparan-sulfate-D-GlcNS-atom3" order="1"/> <bond i…

CHEBI CHEBI:61725
structure data: InChI%3D1S%2FC8H14O%2Fc1-2-3-4-5-6-7-8-9%2Fh6-8H%2C2-5H2%2C1H3

biopax-level3ChemicalStructure147011
structure data: <atom id="CPD-506-atom1" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="CPD-506-atom2" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="CPD-506-atom3" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-506-atom4" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-506-atom5" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="CPD-506-atom6" elementType="O" x2="7292.0" y2="-1784.0" formalCharge="-1"/> <atom id="CPD-506-atom7" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="CPD-506-atom8" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="CPD-506-atom9" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-506-atom10" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-506-atom11" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-506-atom12" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="CPD-506-atom13" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="CPD-506-atom14" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-506-atom15" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-506-atom16" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-506-atom17" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-506-atom18" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-506-atom19" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-506-atom20" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="CPD-506-atom21" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="CPD-506-atom22" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="CPD-506-atom23" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="CPD-506-atom24" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="CPD-506-atom25" elementType="P" x2="6549.0" y2="-2142.0"/> <atom id="CPD-506-atom26" elementType="P" x2="4365.0" y2="-5775.0"/> <atom id="CPD-506-atom27" elementType="P" x2="4365.0" y2="-825.0"/> <atom id=…

biopax-level3ChemicalStructure135435
structure data: <atom id="CPD0-2472-atom1" elementType="O" x2="-10559.0" y2="72132.0"/> <atom id="CPD0-2472-atom2" elementType="O" x2="-2107.0" y2="52602.0"/> <atom id="CPD0-2472-atom3" elementType="C" x2="-8707.0" y2="57751.0"/> <atom id="CPD0-2472-atom4" elementType="C" x2="-5943.0" y2="65682.0"/> <atom id="CPD0-2472-atom5" elementType="C" x2="2562.0" y2="65515.0"/> <atom id="CPD0-2472-atom6" elementType="C" x2="4697.0" y2="57140.0"/> <atom id="CPD0-2472-atom7" elementType="C" x2="12375.0" y2="54444.0"/> <atom id="CPD0-2472-atom8" elementType="C" x2="-7579.0" y2="32582.0"/> <atom id="CPD0-2472-atom9" elementType="C" x2="-7626.0" y2="40861.0"/> <atom id="CPD0-2472-atom10" elementType="N" x2="-13917.0" y2="45476.0"/> <atom id="CPD0-2472-atom11" elementType="C" x2="-21991.0" y2="41223.0"/> <atom id="CPD0-2472-atom12" elementType="C" x2="-21852.0" y2="33444.0"/> <atom id="CPD0-2472-atom13" elementType="C" x2="-14918.0" y2="28916.0"/> <atom id="CPD0-2472-atom14" elementType="C" x2="-735.0" y2="28060.0"/> <atom id="CPD0-2472-atom15" elementType="N" x2="-756.0" y2="20785.0"/> <atom id="CPD0-2472-atom16" elementType="O" x2="6592.0" y2="31750.0"/> <atom id="CPD0-2472-atom17" elementType="O" x2="7418.0" y2="71533.0"/> <atom id="CPD0-2472-atom18" elementType="P" x2="29760.0" y2="54507.0"/> <atom id="CPD0-2472-atom19" elementType="O" x2="29760.0" y2="45301.0"/> <atom id="CPD0-2472-atom20" elementType="O" x2="29805.0" y2="63666.0" formalCharge="-1"/> <atom id="CPD0-2472-atom21" elementType="O" x2="40012.0" y2="54514.0"/> <atom id="CPD0-2472-atom22" elementType="P" x2="51088.0" y2="54507.0"/> <atom id="CPD0-2472-atom23" elementType="O" x2="51118.0" y2="45312.0"/> <atom id="CPD0-2472-atom24" elementType="O" x2="51096.0" y2="64068.0" formalCharge="-1"/> <atom id="CPD0-2472-atom25" elementType="O" x2="90094.0" y2="71715.0"/> <atom id="CPD0-2472-atom26" elementType="O" x2="72200.0" y2="71746.0"/> <atom id="CPD0-2472-atom27" elementType="O" x2="80936.0" y2="52506.0"/> <atom id="CPD0-2472-atom28" el…

biopax-level3ChemicalStructure173910
structure data: <atom id="3-PYRIDYLACETIC-ACID-atom1" elementType="O" x2="2858.0" y2="-412.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom2" elementType="O" x2="3572.0" y2="-1650.0" formalCharge="-1"/> <atom id="3-PYRIDYLACETIC-ACID-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom4" elementType="C" x2="0.0" y2="-412.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom6" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom7" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom8" elementType="N" x2="714.0" y2="0.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="3-PYRIDYLACETIC-ACID-atom10" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="3-PYRIDYLACETIC-ACID-bond1" atomRefs="3-PYRIDYLACETIC-ACID-atom7 3-PYRIDYLACETIC-ACID-atom10" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond2" atomRefs="3-PYRIDYLACETIC-ACID-atom7 3-PYRIDYLACETIC-ACID-atom9" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond3" atomRefs="3-PYRIDYLACETIC-ACID-atom10 3-PYRIDYLACETIC-ACID-atom6" order="2"/> <bond id="3-PYRIDYLACETIC-ACID-bond4" atomRefs="3-PYRIDYLACETIC-ACID-atom6 3-PYRIDYLACETIC-ACID-atom8" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond5" atomRefs="3-PYRIDYLACETIC-ACID-atom5 3-PYRIDYLACETIC-ACID-atom10" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond6" atomRefs="3-PYRIDYLACETIC-ACID-atom8 3-PYRIDYLACETIC-ACID-atom4" order="2"/> <bond id="3-PYRIDYLACETIC-ACID-bond7" atomRefs="3-PYRIDYLACETIC-ACID-atom3 3-PYRIDYLACETIC-ACID-atom5" order="2"/> <bond id="3-PYRIDYLACETIC-ACID-bond8" atomRefs="3-PYRIDYLACETIC-ACID-atom4 3-PYRIDYLACETIC-ACID-atom3" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond9" atomRefs="3-PYRIDYLACETIC-ACID-atom2 3-PYRIDYLACETIC-ACID-atom9" order="1"/> <bond id="3-PYRIDYLACETIC-ACID-bond10" atomRefs="3-PYRIDYLACETIC-ACID-atom1 3-PYRIDYLACETIC-ACID-atom9" order="2"/> <formula concise="H 6 N 1 C 7 O …

CHEBI CHEBI:16395
structure data: InChI%3D1S%2FC14H13NO2%2Fc1-11%2816%2917-15-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10%2C15H%2C1H3

CHEBI CHEBI:17534
structure data: InChI%3D1S%2FC6H11NO3%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh1-4%2C7H2%2C%28H%2C9%2C10%29

CHEBI CHEBI:11561
structure data: InChI%3D1S%2FC6H10O4%2Fc1-6%282%2C3-7%294%288%295%289%2910%2Fh7H%2C3H2%2C1-2H3%2C%28H%2C9%2C10%29%2Fp-1

biopax-level3ChemicalStructure131701
structure data: <atom id="MALONYL-COA-atom1" elementType="C" x2="41419.0" y2="-15243.0"/> <atom id="MALONYL-COA-atom2" elementType="O" x2="38339.0" y2="-26021.0"/> <atom id="MALONYL-COA-atom3" elementType="C" x2="38339.0" y2="-21094.0"/> <atom id="MALONYL-COA-atom4" elementType="C" x2="-16475.0" y2="-31257.0"/> <atom id="MALONYL-COA-atom5" elementType="N" x2="28485.0" y2="-2156.0"/> <atom id="MALONYL-COA-atom6" elementType="C" x2="-40495.0" y2="-36030.0"/> <atom id="MALONYL-COA-atom7" elementType="O" x2="33874.0" y2="-46500.0" formalCharge="-1"/> <atom id="MALONYL-COA-atom8" elementType="C" x2="-40187.0" y2="-7545.0"/> <atom id="MALONYL-COA-atom9" elementType="O" x2="-31565.0" y2="-23250.0"/> <atom id="MALONYL-COA-atom10" elementType="C" x2="46346.0" y2="5543.0"/> <atom id="MALONYL-COA-atom11" elementType="O" x2="25560.0" y2="-38185.0"/> <atom id="MALONYL-COA-atom12" elementType="N" x2="21248.0" y2="9084.0"/> <atom id="MALONYL-COA-atom13" elementType="S" x2="-2925.0" y2="-30795.0"/> <atom id="MALONYL-COA-atom14" elementType="O" x2="33566.0" y2="-10932.0"/> <atom id="MALONYL-COA-atom15" elementType="O" x2="-40187.0" y2="770.0"/> <atom id="MALONYL-COA-atom16" elementType="N" x2="27715.0" y2="21402.0"/> <atom id="MALONYL-COA-atom17" elementType="C" x2="-31565.0" y2="-31565.0"/> <atom id="MALONYL-COA-atom18" elementType="C" x2="21248.0" y2="1694.0"/> <atom id="MALONYL-COA-atom19" elementType="O" x2="16783.0" y2="-43883.0"/> <atom id="MALONYL-COA-atom20" elementType="O" x2="-5081.0" y2="2002.0"/> <atom id="MALONYL-COA-atom21" elementType="O" x2="-14628.0" y2="-6313.0"/> <atom id="MALONYL-COA-atom22" elementType="C" x2="4311.0" y2="-36030.0"/> <atom id="MALONYL-COA-atom23" elementType="C" x2="27715.0" y2="13088.0"/> <atom id="MALONYL-COA-atom24" elementType="O" x2="10162.0" y2="-14628.0" formalCharge="-1"/> <atom id="MALONYL-COA-atom25" elementType="C" x2="-28023.0" y2="-7545.0"/> <atom id="MALONYL-COA-atom26" elementType="N" x2="41419.0" y2="-1848.0"/> <atom id="MALONYL-COA-atom27" elem…

CHEBI CHEBI:18022
structure data: InChI%3D1S%2FCHNS%2Fc2-1-3%2Fh3H%2Fp-1

CHEBI CHEBI:15858
structure data: InChI%3D1S%2FBrH%2Fh1H%2Fp-1

CHEBI CHEBI:18409
structure data: InChI%3D1S%2FC5H8O4%2Fc1-3%286%295%282%2C9%294%287%298%2Fh9H%2C1-2H3%2C%28H%2C7%2C8%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:48693
structure data: InChI%3D1S%2FC15H24O%2Fc1-11-7-8-14%2815%2811%2C2%293%2913-6-4-5-12%289-13%2910-16%2Fh6-7%2C12%2C14%2C16H%2C4-5%2C8-10H2%2C1-3H3

CHEBI CHEBI:62481
structure data: InChI%3D1S%2FC40H56O%2Fc1-33%282%2919-13-22-36%285%2925-16-28-37%286%2926-14-23-34%283%2920-11-12-21-35%284%2924-15-27-38%287%2929-17-30-39%288%2931-18-32-40%289%2C10%2941%2Fh11-12%2C14-21%2C23-31%2C41H%2C13%2C22%2C32H2%2C1-10H3%2Fb12-11%2B%2C23-14%2B%2C24-15%2B%2C28-16%2B%2C29-17%2B%2C31-18%2B%2C34-20%2B%2C35-21%2B%2C36-25%2B%2C37-26%2B%2C38-27%2B%2C39-30%2B

biopax-level3ChemicalStructure165231
structure data: <atom id="MO+2-atom1" elementType="MO" x2="999.0" y2="-555.0" formalCharge="2"/> <formula concise="MO 1"/> 95.94 [Mo++]

CHEBI CHEBI:64317
structure data: InChI%3D1S%2FC11H17NO3%2Fc1-7%282%2912-6-11%2815%298-3-4-9%2813%2910%2814%295-8%2Fh3-5%2C7%2C11-15H%2C6H2%2C1-2H3

CHEBI CHEBI:29033
structure data: InChI%3D1S%2FFe%2Fq%2B2

biopax-level3ChemicalStructure135419
structure data: <atom id="CPD-10588-atom1" elementType="C" x2="-55556.0" y2="63264.0"/> <atom id="CPD-10588-atom2" elementType="C" x2="-55556.0" y2="71559.0"/> <atom id="CPD-10588-atom3" elementType="C" x2="-48451.0" y2="75752.0"/> <atom id="CPD-10588-atom4" elementType="C" x2="-48451.0" y2="59163.0"/> <atom id="CPD-10588-atom5" elementType="C" x2="-41256.0" y2="71559.0"/> <atom id="CPD-10588-atom6" elementType="C" x2="-34008.0" y2="75723.0"/> <atom id="CPD-10588-atom7" elementType="C" x2="-26715.0" y2="70817.0"/> <atom id="CPD-10588-atom8" elementType="C" x2="-41256.0" y2="63264.0"/> <atom id="CPD-10588-atom9" elementType="C" x2="-26818.0" y2="63210.0"/> <atom id="CPD-10588-atom10" elementType="C" x2="-26862.0" y2="46406.0"/> <atom id="CPD-10588-atom11" elementType="C" x2="-33913.0" y2="50418.0"/> <atom id="CPD-10588-atom12" elementType="C" x2="-34065.0" y2="59047.0"/> <atom id="CPD-10588-atom13" elementType="C" x2="-19510.0" y2="50564.0"/> <atom id="CPD-10588-atom14" elementType="C" x2="-19540.0" y2="58970.0"/> <atom id="CPD-10588-atom15" elementType="C" x2="-4991.0" y2="59022.0"/> <atom id="CPD-10588-atom16" elementType="C" x2="-4962.0" y2="50615.0"/> <atom id="CPD-10588-atom17" elementType="C" x2="-12221.0" y2="46361.0"/> <atom id="CPD-10588-atom18" elementType="O" x2="-62681.0" y2="75627.0"/> <atom id="CPD-10588-atom19" elementType="O" x2="-19906.0" y2="76040.0"/> <atom id="CPD-10588-atom20" elementType="C" x2="-41291.0" y2="55061.0"/> <atom id="CPD-10588-atom21" elementType="C" x2="-19595.0" y2="42343.0"/> <atom id="CPD-10588-atom22" elementType="C" x2="-12192.0" y2="38157.0"/> <atom id="CPD-10588-atom23" elementType="C" x2="-5074.0" y2="34080.0"/> <atom id="CPD-10588-atom24" elementType="C" x2="-19283.0" y2="34030.0"/> <atom id="CPD-10588-atom25" elementType="C" x2="2017.0" y2="38206.0"/> <atom id="CPD-10588-atom26" elementType="C" x2="2010.0" y2="46399.0"/> <atom id="CPD-10588-atom27" elementType="C" x2="10214.0" y2="46399.0"/> <atom id="CPD-10588-atom28" elementType="C" x2…

biopax-level3ChemicalStructure149116
structure data: <cml> <molecule id="Sterols" title="a sterol" formalCharge="0" dictRef="dictSterols"> <atomArray> <atom id="Sterols-atom1" elementType="C" x2="7288.0" y2="-5600.0"/> <atom id="Sterols-atom2" elementType="C" x2="3640.0" y2="-3500.0"/> <atom id="Sterols-atom3" elementType="O" x2="0.0" y2="0.0"/> <atom id="Sterols-atom4" elementType="R" x2="9039.0" y2="-5964.0"/> <atom id="Sterols-atom5" elementType="C" x2="9429.0" y2="-3500.0"/> <atom id="Sterols-atom6" elementType="C" x2="4850.0" y2="0.0"/> <atom id="Sterols-atom7" elementType="C" x2="1212.0" y2="-2100.0"/> <atom id="Sterols-atom8" elementType="C" x2="6062.0" y2="-700.0"/> <atom id="Sterols-atom9" elementType="C" x2="8606.0" y2="-2367.0"/> <atom id="Sterols-atom10" elementType="C" x2="4850.0" y2="-4200.0"/> <atom id="Sterols-atom11" elementType="C" x2="2425.0" y2="-2800.0"/> <atom id="Sterols-atom12" elementType="C" x2="6062.0" y2="-4900.0"/> <atom id="Sterols-atom13" elementType="C" x2="2425.0" y2="0.0"/> <atom id="Sterols-atom14" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="Sterols-atom15" elementType="C" x2="8606.0" y2="-4633.0"/> <atom id="Sterols-atom16" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="Sterols-atom17" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="Sterols-atom18" elementType="C" x2="7275.0" y2="-2800.0"/> <atom id="Sterols-atom19" elementType="C" x2="4850.0" y2="-2800.0"/> <atom id="Sterols-atom20" elementType="C" x2="7275.0" y2="-4200.0"/> <atom id="Sterols-atom21" elementType="C" x2="3637.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="Sterols-bond1" atomRefs="Sterols-atom19 Sterols-atom21" order="1"/> <bond id="Sterols-bond2" atomRefs="Sterols-atom18 Sterols-atom20" order="1"/> <bond id="Sterols-bond3" atomRefs="Sterols-atom17 Sterols-atom19" order="1"/> <bond id="Sterols-bond4" atomRefs="Sterols-atom17 Sterols-atom18" order="1"/> <bond id="Sterols-bond5" atomRefs="Sterols-atom16 Sterols-atom21" order="1"/> <bond id="Sterols-bond6" atomRefs="Sterols-atom15 Sterols-atom20"…

biopax-level3ChemicalStructure165038
structure data: <cml> <molecule id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE" title="a protein c-terminal S-farnesyl-L-cysteine" formalCharge="-1" dictRef="dictPROTEIN-C-TERMINAL-S-ETC-CYSTEINE"> <atomArray> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom1" elementType="C" x2="-1050.0" y2="-26230.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom2" elementType="C" x2="-72140.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom3" elementType="C" x2="72140.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom4" elementType="N" x2="-1050.0" y2="56970.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom5" elementType="O" x2="-72140.0" y2="-148750.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom6" elementType="Protein" x2="-90910.0" y2="115910.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom7" elementType="O" x2="-143580.0" y2="-24990.0" formalCharge="-1"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom8" elementType="S" x2="143590.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom9" elementType="C" x2="215030.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom10" elementType="C" x2="286470.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom11" elementType="C" x2="357920.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom12" elementType="C" x2="429370.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom13" elementType="C" x2="500810.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom14" elementType="C" x2="572250.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom15" elementType="C" x2="643700.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom16" elementType="C" x2="715150.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom17" elementType="C" x2="786590.0" y2="-66250.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYSTEINE-atom18" elementType="C" x2="858040.0" y2="-25000.0"/> <atom id="PROTEIN-C-TERMINAL-S-ETC-CYS…

biopax-level3ChemicalStructure169432
structure data: <atom id="CPD-8612-atom1" elementType="C" x2="7820.0" y2="-3260.0"/> <atom id="CPD-8612-atom2" elementType="C" x2="8882.0" y2="-4216.0"/> <atom id="CPD-8612-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-8612-atom4" elementType="C" x2="846.0" y2="-799.0"/> <atom id="CPD-8612-atom5" elementType="C" x2="2144.0" y2="-3444.0"/> <atom id="CPD-8612-atom6" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-8612-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-8612-atom8" elementType="O" x2="0.0" y2="-1382.0"/> <atom id="CPD-8612-atom9" elementType="C" x2="2012.0" y2="-799.0"/> <atom id="CPD-8612-atom10" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-8612-atom11" elementType="C" x2="6716.0" y2="-4486.0"/> <atom id="CPD-8612-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-8612-atom13" elementType="C" x2="2889.0" y2="-3888.0"/> <atom id="CPD-8612-atom14" elementType="C" x2="6164.0" y2="-5099.0"/> <atom id="CPD-8612-atom15" elementType="C" x2="2858.0" y2="-1382.0"/> <atom id="CPD-8612-atom16" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-8612-atom17" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-8612-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-8612-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-8612-atom20" elementType="C" x2="1429.0" y2="-3032.0"/> <atom id="CPD-8612-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-8612-atom22" elementType="C" x2="3603.0" y2="-2651.0"/> <atom id="CPD-8612-atom23" elementType="C" x2="2889.0" y2="-3063.0"/> <atom id="CPD-8612-atom24" elementType="C" x2="5358.0" y2="-4928.0"/> <atom id="CPD-8612-atom25" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-8612-atom26" elementType="C" x2="4318.0" y2="-3063.0"/> <atom id="CPD-8612-atom27" elementType="C" x2="5102.0" y2="-4143.0"/> <atom id="CPD-8612-atom28" elementType="C" x2="2144.0" y2="-1795.0"/> <atom id="CPD-8612-atom29" elementType="C" x2="1429.0" y2="-1…

CHEBI CHEBI:61676
structure data: InChI%3D1S%2FC18H30O2%2Fc19-18%2820%2916-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17%2Fh2%2C4%2C11%2C14%2C17H%2C1%2C3%2C5-10%2C12-13%2C15-16H2%2C%28H%2C19%2C20%29%2Fb4-2-%2Ft17-%2Fm0%2Fs1

CHEBI CHEBI:50014
structure data: InChI%3D1S%2FC14H14O2%2Fc15-13%2811-7-3-1-4-8-11%2914%2816%2912-9-5-2-6-10-12%2Fh1-10%2C13-16H%2Ft13-%2C14-%2Fm1%2Fs1

CHEBI CHEBI:63800
structure data: InChI%3D1S%2FC10H13N3O%2Fc11-10%2812%2913-5-7-3-1-2-4-8%287%299%2814%296-13%2Fh1-4%2C9%2C14H%2C5-6H2%2C%28H3%2C11%2C12%29

CHEBI CHEBI:15760
structure data: InChI%3D1S%2FC8H11NO%2Fc9-6-5-7-1-3-8%2810%294-2-7%2Fh1-4%2C10H%2C5-6%2C9H2

CHEBI CHEBI:16223
structure data: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1

CHEBI CHEBI:62107
structure data: InChI%3D1S%2FC46H89NO8%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42%2850%2947-39%2838-54-46-45%2853%2944%2852%2943%2851%2941%2837-48%2955-46%2940%2849%2935-33-31-29-27-25-23-16-14-12-10-8-6-4-2%2Fh33%2C35%2C39-41%2C43-46%2C48-49%2C51-53H%2C3-32%2C34%2C36-38H2%2C1-2H3%2C%28H%2C47%2C50%29%2Fb35-33%2B%2Ft39-%2C40%2B%2C41%2B%2C43%2B%2C44-%2C45%2B%2C46%2B%2Fm0%2Fs1

CHEBI CHEBI:43799
structure data: InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3

CHEBI CHEBI:15651
structure data: InChI%3D1S%2FC20H30O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19%2823-18%2916-14-17-20%2821%2922%2Fh6-7%2C9-13%2C15%2C18-19H%2C2-5%2C8%2C14%2C16-17H2%2C1H3%2C%28H%2C21%2C22%29%2Fb7-6-%2C10-9-%2C12-11%2B%2C15-13%2B%2Ft18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:63695
structure data: InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18-%2C20-%2C22%2B%2Fm1%2Fs1

CHEBI CHEBI:45240
structure data: InChI%3D1S%2FC36H72NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-35%2838%2942-32-34%2833-44-46%2840%2C41%2943-31-30-37%283%2C4%295%2945-36%2839%2929-27-25-23-21-19-17-15-13-11-9-7-2%2Fh34H%2C6-33H2%2C1-5H3%2Ft34-%2Fm1%2Fs1

biopax-level3ChemicalStructure157651
structure data: <atom id="CPD-9973-atom1" elementType="N" x2="-23981.0" y2="-15896.0"/> <atom id="CPD-9973-atom2" elementType="C" x2="-16837.0" y2="-20020.0"/> <atom id="CPD-9973-atom3" elementType="C" x2="-9693.0" y2="-15896.0"/> <atom id="CPD-9973-atom4" elementType="O" x2="-9693.0" y2="-7646.0"/> <atom id="CPD-9973-atom5" elementType="EIF5A" x2="-2548.0" y2="-20020.0"/> <atom id="CPD-9973-atom6" elementType="C" x2="-16837.0" y2="-28270.0"/> <atom id="CPD-9973-atom7" elementType="C" x2="-9693.0" y2="-32395.0"/> <atom id="CPD-9973-atom8" elementType="C" x2="-9693.0" y2="-40645.0"/> <atom id="CPD-9973-atom9" elementType="C" x2="-2548.0" y2="-44770.0"/> <atom id="CPD-9973-atom10" elementType="N" x2="-2548.0" y2="-53019.0"/> <atom id="CPD-9973-atom11" elementType="C" x2="-9693.0" y2="-57144.0"/> <atom id="CPD-9973-atom12" elementType="C" x2="-16837.0" y2="-53019.0"/> <atom id="CPD-9973-atom13" elementType="C" x2="-23981.0" y2="-57144.0"/> <atom id="CPD-9973-atom14" elementType="C" x2="-31126.0" y2="-53019.0"/> <atom id="CPD-9973-atom15" elementType="N" x2="-38271.0" y2="-57144.0"/> <atom id="CPD-9973-atom16" elementType="EIF5A" x2="-31126.0" y2="-20021.0"/> <bond id="CPD-9973-bond1" atomRefs="CPD-9973-atom1 CPD-9973-atom2" order="1"/> <bond id="CPD-9973-bond2" atomRefs="CPD-9973-atom2 CPD-9973-atom3" order="1"/> <bond id="CPD-9973-bond3" atomRefs="CPD-9973-atom2 CPD-9973-atom6" order="1"/> <bond id="CPD-9973-bond4" atomRefs="CPD-9973-atom3 CPD-9973-atom5" order="1"/> <bond id="CPD-9973-bond5" atomRefs="CPD-9973-atom3 CPD-9973-atom4" order="2"/> <bond id="CPD-9973-bond6" atomRefs="CPD-9973-atom6 CPD-9973-atom7" order="1"/> <bond id="CPD-9973-bond7" atomRefs="CPD-9973-atom7 CPD-9973-atom8" order="1"/> <bond id="CPD-9973-bond8" atomRefs="CPD-9973-atom8 CPD-9973-atom9" order="1"/> <bond id="CPD-9973-bond9" atomRefs="CPD-9973-atom9 CPD-9973-atom10" order="1"/> <bond id="CPD-9973-bond10" atomRefs="CPD-9973-atom10 CPD-9973-atom11" order="1"/> <bond id="CPD-9973-bond11" atomRefs="CPD-9973-at…

biopax-level3ChemicalStructure148265
structure data: <atom id="INOSITOL-1-4-BISPHOSPHATE-atom1" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom2" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom3" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom4" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom5" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom6" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom7" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom8" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom9" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom10" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom11" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom12" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom13" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom14" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom15" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom16" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom17" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom18" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom19" elementType="P" x2="4365.0" y2="-5775.0"/> <atom id="INOSITOL-1-4-BISPHOSPHATE-atom20" elementType="P" x2="4365.0" y2="-825.0"/> <bond id="INOSITOL-1-4-BISPHOSPHATE-bond1" atomRefs="INOSITOL-1-4-BISPHOSPHATE-atom17 INOSITOL-1-4-BISPHOSPHATE-atom18" order="1"/> <bond id="INOSITOL-1-4-BISPHOSPHATE-bond2" atomRefs="INOSITOL-1-4-BISPHO…

biopax-level3ChemicalStructure147143
structure data: <atom id="GUANOSINE-atom1" elementType="C" x2="9372.0" y2="10517.0"/> <atom id="GUANOSINE-atom2" elementType="N" x2="2227.0" y2="14642.0"/> <atom id="GUANOSINE-atom3" elementType="N" x2="9371.0" y2="27017.0"/> <atom id="GUANOSINE-atom4" elementType="C" x2="16516.0" y2="22892.0"/> <atom id="GUANOSINE-atom5" elementType="C" x2="16516.0" y2="14642.0"/> <atom id="GUANOSINE-atom6" elementType="N" x2="24362.0" y2="12093.0"/> <atom id="GUANOSINE-atom7" elementType="C" x2="29212.0" y2="18768.0"/> <atom id="GUANOSINE-atom8" elementType="N" x2="24362.0" y2="25442.0"/> <atom id="GUANOSINE-atom9" elementType="C" x2="26912.0" y2="33290.0"/> <atom id="GUANOSINE-atom10" elementType="O" x2="22062.0" y2="39963.0"/> <atom id="GUANOSINE-atom11" elementType="C" x2="26911.0" y2="46639.0"/> <atom id="GUANOSINE-atom12" elementType="C" x2="24361.0" y2="54485.0"/> <atom id="GUANOSINE-atom13" elementType="O" x2="29882.0" y2="60616.0"/> <atom id="GUANOSINE-atom14" elementType="C" x2="34757.0" y2="44089.0"/> <atom id="GUANOSINE-atom15" elementType="O" x2="41432.0" y2="48939.0"/> <atom id="GUANOSINE-atom16" elementType="C" x2="34758.0" y2="35839.0"/> <atom id="GUANOSINE-atom17" elementType="O" x2="41432.0" y2="30990.0"/> <atom id="GUANOSINE-atom18" elementType="C" x2="2226.0" y2="22892.0"/> <atom id="GUANOSINE-atom19" elementType="N" x2="-4919.0" y2="27017.0"/> <atom id="GUANOSINE-atom20" elementType="O" x2="9372.0" y2="2267.0"/> <bond id="GUANOSINE-bond1" atomRefs="GUANOSINE-atom20 GUANOSINE-atom1" order="2"/> <bond id="GUANOSINE-bond2" atomRefs="GUANOSINE-atom1 GUANOSINE-atom2" order="1"/> <bond id="GUANOSINE-bond3" atomRefs="GUANOSINE-atom1 GUANOSINE-atom5" order="1"/> <bond id="GUANOSINE-bond4" atomRefs="GUANOSINE-atom2 GUANOSINE-atom18" order="1"/> <bond id="GUANOSINE-bond5" atomRefs="GUANOSINE-atom18 GUANOSINE-atom3" order="2"/> <bond id="GUANOSINE-bond6" atomRefs="GUANOSINE-atom3 GUANOSINE-atom4" order="1"/> <bond id="GUANOSINE-bond7" atomRefs="GUANOSINE-atom4 GUANOSINE-atom5" order="2"/…

biopax-level3ChemicalStructure150128
structure data: <cml> <molecule id="1-Alkyl-sn-glycero-3-phosphocholines" title="a 1-alkyl-sn-glycero-3-phosphocholine" formalCharge="0" dictRef="dict1-Alkyl-sn-glycero-3-phosphocholines"> <atomArray> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom1" elementType="C" x2="551820.0" y2="-70830.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom2" elementType="C" x2="426670.0" y2="-1720.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom3" elementType="C" x2="509020.0" y2="0.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom4" elementType="O" x2="224600.0" y2="-135710.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom5" elementType="O" x2="0.0" y2="-359570.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom6" elementType="O" x2="224260.0" y2="-300700.0" formalCharge="-1"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom7" elementType="R1" x2="225570.0" y2="-441920.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom8" elementType="C" x2="347180.0" y2="-146460.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom9" elementType="C" x2="429660.0" y2="-144660.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom10" elementType="C" x2="82680.0" y2="-442220.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom11" elementType="C" x2="82710.0" y2="-277220.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom12" elementType="O" x2="154220.0" y2="-483310.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom13" elementType="O" x2="306100.0" y2="-218010.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom14" elementType="O" x2="141100.0" y2="-218930.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom15" elementType="C" x2="82500.0" y2="-359720.0"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom16" elementType="N" x2="469340.0" y2="-72330.0" formalCharge="1"/> <atom id="1-Alkyl-sn-glycero-3-phosphocholines-atom17" elementType="P" x2="223590.0" y2="-218210.0"/> </atomArray> <bondArray> <bond id="1-Alkyl-sn-glycero-3-phosphocholines-…

CHEBI CHEBI:15440
structure data: InChI%3D1S%2FC30H50%2Fc1-25%282%2915-11-19-29%287%2923-13-21-27%285%2917-9-10-18-28%286%2922-14-24-30%288%2920-12-16-26%283%294%2Fh15-18%2C23-24H%2C9-14%2C19-22H2%2C1-8H3%2Fb27-17%2B%2C28-18%2B%2C29-23%2B%2C30-24%2B

biopax-level3ChemicalStructure173352
structure data: <cml> <molecule id="11-Oxosteroids" title="an 11-oxosteroid" formalCharge="0" dictRef="dict11-Oxosteroids"> <atomArray> <atom id="11-Oxosteroids-atom1" elementType="C" x2="6062.0" y2="-5600.0"/> <atom id="11-Oxosteroids-atom2" elementType="C" x2="2425.0" y2="-3500.0"/> <atom id="11-Oxosteroids-atom3" elementType="O" x2="2425.0" y2="-4900.0"/> <atom id="11-Oxosteroids-atom4" elementType="R" x2="7826.0" y2="-5964.0"/> <atom id="11-Oxosteroids-atom5" elementType="C" x2="0.0" y2="-700.0"/> <atom id="11-Oxosteroids-atom6" elementType="C" x2="0.0" y2="-2100.0"/> <atom id="11-Oxosteroids-atom7" elementType="C" x2="1212.0" y2="0.0"/> <atom id="11-Oxosteroids-atom8" elementType="C" x2="8217.0" y2="-3500.0"/> <atom id="11-Oxosteroids-atom9" elementType="C" x2="3637.0" y2="0.0"/> <atom id="11-Oxosteroids-atom10" elementType="C" x2="4850.0" y2="-700.0"/> <atom id="11-Oxosteroids-atom11" elementType="C" x2="7394.0" y2="-2367.0"/> <atom id="11-Oxosteroids-atom12" elementType="C" x2="1212.0" y2="-2800.0"/> <atom id="11-Oxosteroids-atom13" elementType="C" x2="4850.0" y2="-4900.0"/> <atom id="11-Oxosteroids-atom14" elementType="C" x2="3637.0" y2="-4200.0"/> <atom id="11-Oxosteroids-atom15" elementType="C" x2="7394.0" y2="-4633.0"/> <atom id="11-Oxosteroids-atom16" elementType="C" x2="2425.0" y2="-700.0"/> <atom id="11-Oxosteroids-atom17" elementType="C" x2="4850.0" y2="-2100.0"/> <atom id="11-Oxosteroids-atom18" elementType="C" x2="6062.0" y2="-2800.0"/> <atom id="11-Oxosteroids-atom19" elementType="C" x2="3637.0" y2="-2800.0"/> <atom id="11-Oxosteroids-atom20" elementType="C" x2="6062.0" y2="-4200.0"/> <atom id="11-Oxosteroids-atom21" elementType="C" x2="2425.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="11-Oxosteroids-bond1" atomRefs="11-Oxosteroids-atom19 11-Oxosteroids-atom21" order="1"/> <bond id="11-Oxosteroids-bond2" atomRefs="11-Oxosteroids-atom18 11-Oxosteroids-atom20" order="1"/> <bond id="11-Oxosteroids-bond3" atomRefs="11-Oxosteroids-atom17 11-Oxosteroids-atom19" …

CHEBI CHEBI:18086
structure data: InChI%3D1S%2FC10H9NO%2Fc12-6-5-8-7-11-10-4-2-1-3-9%288%2910%2Fh1-4%2C6-7%2C11H%2C5H2

biopax-level3ChemicalStructure139627
structure data: <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom1" elementType="O" x2="-16725.0" y2="8751.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom2" elementType="O" x2="-16428.0" y2="-9101.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom3" elementType="O" x2="-2033.0" y2="-17444.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom4" elementType="P" x2="458.0" y2="-25578.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom5" elementType="O" x2="-6871.0" y2="-29448.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom6" elementType="O" x2="7716.0" y2="-21668.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom7" elementType="O" x2="5174.0" y2="-32605.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom8" elementType="O" x2="12499.0" y2="-9388.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom9" elementType="P" x2="21092.0" y2="-8695.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom10" elementType="O" x2="24028.0" y2="-16446.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom11" elementType="O" x2="19950.0" y2="-733.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom12" elementType="O" x2="28839.0" y2="-5010.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom13" elementType="O" x2="12201.0" y2="7704.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom14" elementType="P" x2="15269.0" y2="15132.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom15" elementType="O" x2="23528.0" y2="14901.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom16" elementType="O" x2="7336.0" y2="16611.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom17" elementType="O" x2="16766.0" y2="22981.0" formalCharge="-1"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHOSPH-atom18" elementType="O" x2="-2042.0" y2="16586.0"/> <atom id="DIPHOSPHO-1D-MYO-INOSITOL-TETRAKISPHO…

CHEBI CHEBI:57642
structure data: InChI%3D1S%2FC3H7O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh4H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29%2Fp-2

CHEBI CHEBI:18697
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%282%2C3-7%294%288%295%289%2910%2Fh4%2C7-8H%2C3H2%2C1-2H3%2C%28H%2C9%2C10%29%2Ft4-%2Fm0%2Fs1

biopax-level3ChemicalStructure141658
structure data: <cml> <molecule id="CPD-452" title="a 6-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol" formalCharge="-1" dictRef="dictCPD-452"> <atomArray> <atom id="CPD-452-atom1" elementType="H" x2="1680.0" y2="-6873.0"/> <atom id="CPD-452-atom2" elementType="C" x2="4919.0" y2="-5456.0"/> <atom id="CPD-452-atom3" elementType="O" x2="6337.0" y2="-5117.0"/> <atom id="CPD-452-atom4" elementType="O" x2="3402.0" y2="-8286.0"/> <atom id="CPD-452-atom5" elementType="O" x2="1280.0" y2="-7606.0"/> <atom id="CPD-452-atom6" elementType="O" x2="3193.0" y2="-4303.0"/> <atom id="CPD-452-atom7" elementType="O" x2="7533.0" y2="-969.0"/> <atom id="CPD-452-atom8" elementType="O" x2="2422.0" y2="0.0"/> <atom id="CPD-452-atom9" elementType="O" x2="1129.0" y2="-1008.0"/> <atom id="CPD-452-atom10" elementType="O" x2="8113.0" y2="-3393.0"/> <atom id="CPD-452-atom11" elementType="O" x2="6915.0" y2="-4528.0"/> <atom id="CPD-452-atom12" elementType="O" x2="3938.0" y2="-620.0"/> <atom id="CPD-452-atom13" elementType="O" x2="1355.0" y2="-2638.0"/> <atom id="CPD-452-atom14" elementType="O" x2="1674.0" y2="-3665.0" formalCharge="-1"/> <atom id="CPD-452-atom15" elementType="R" x2="4648.0" y2="-7528.0"/> <atom id="CPD-452-atom16" elementType="R" x2="0.0" y2="-6906.0"/> <atom id="CPD-452-atom17" elementType="C" x2="7729.0" y2="-1788.0"/> <atom id="CPD-452-atom18" elementType="C" x2="2525.0" y2="-6848.0"/> <atom id="CPD-452-atom19" elementType="C" x2="2491.0" y2="-5389.0"/> <atom id="CPD-452-atom20" elementType="N" x2="5334.0" y2="-4058.0"/> <atom id="CPD-452-atom21" elementType="O" x2="3367.0" y2="-6828.0"/> <atom id="CPD-452-atom22" elementType="O" x2="2054.0" y2="-4670.0"/> <atom id="CPD-452-atom23" elementType="O" x2="1246.0" y2="-6148.0"/> <atom id="CPD-452-atom24" elementType="O" x2="6340.0" y2="-2121.0"/> <atom id="CPD-452-atom25" elementType="O" x2="4156.0" y2="-2230.0"/> <atom id="CPD-452-atom26" elementType="O" x2="2876.0" y2="-3240.0"/> <atom id="CPD-452-atom27" elementType="C" x2="5530.0" y…

biopax-level3ChemicalStructure152136
structure data: <cml> <molecule id="CPD-8630" title="a (5')ppPur-mRNA" formalCharge="-5" dictRef="dictCPD-8630"> <atomArray> <atom id="CPD-8630-atom1" elementType="P" x2="1557.0" y2="1284.0"/> <atom id="CPD-8630-atom2" elementType="P" x2="1778.0" y2="1627.0"/> <atom id="CPD-8630-atom3" elementType="P" x2="1154.0" y2="967.0"/> <atom id="CPD-8630-atom4" elementType="P" x2="1328.0" y2="967.0"/> <atom id="CPD-8630-atom5" elementType="O" x2="1557.0" y2="1202.0"/> <atom id="CPD-8630-atom6" elementType="O" x2="1597.0" y2="998.0"/> <atom id="CPD-8630-atom7" elementType="O" x2="1874.0" y2="1319.0"/> <atom id="CPD-8630-atom8" elementType="O" x2="1778.0" y2="1544.0"/> <atom id="CPD-8630-atom9" elementType="O" x2="1687.0" y2="1284.0"/> <atom id="CPD-8630-atom10" elementType="O" x2="1066.0" y2="967.0" formalCharge="-1"/> <atom id="CPD-8630-atom11" elementType="O" x2="1241.0" y2="967.0"/> <atom id="CPD-8630-atom12" elementType="O" x2="1415.0" y2="967.0"/> <atom id="CPD-8630-atom13" elementType="O" x2="1939.0" y2="1627.0"/> <atom id="CPD-8630-atom14" elementType="O" x2="1687.0" y2="1189.0"/> <atom id="CPD-8630-atom15" elementType="O" x2="1965.0" y2="1505.0"/> <atom id="CPD-8630-atom16" elementType="O" x2="1475.0" y2="1284.0"/> <atom id="CPD-8630-atom17" elementType="O" x2="1557.0" y2="1361.0" formalCharge="-1"/> <atom id="CPD-8630-atom18" elementType="O" x2="2147.0" y2="1661.0"/> <atom id="CPD-8630-atom19" elementType="O" x2="1696.0" y2="1627.0"/> <atom id="CPD-8630-atom20" elementType="O" x2="1778.0" y2="1704.0" formalCharge="-1"/> <atom id="CPD-8630-atom21" elementType="O" x2="1154.0" y2="880.0"/> <atom id="CPD-8630-atom22" elementType="O" x2="1154.0" y2="1054.0" formalCharge="-1"/> <atom id="CPD-8630-atom23" elementType="O" x2="1328.0" y2="880.0"/> <atom id="CPD-8630-atom24" elementType="O" x2="1328.0" y2="1054.0" formalCharge="-1"/> <atom id="CPD-8630-atom25" elementType="O" x2="2052.0" y2="1869.0"/> <atom id="CPD-8630-atom26" elementType="O" x2="2239.0" y2="1848.0"/> <atom id="CPD-8630-atom2…

CHEBI CHEBI:47764
structure data: InChI%3D1S%2FC41H82NO8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40%2843%2947-37-39%2838-49-51%2845%2C46%2948-36-35-42%2950-41%2844%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh39H%2C3-38%2C42H2%2C1-2H3%2C%28H%2C45%2C46%29

CHEBI CHEBI:49175
structure data: InChI%3D1S%2FC17H34O3%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15%282%2916%2818%2917%2819%2920%2Fh15-16%2C18H%2C3-14H2%2C1-2H3%2C%28H%2C19%2C20%29

CHEBI CHEBI:35177
structure data: InChI%3D1S%2FC6H10O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure163859
structure data: <atom id="CPD-7651-atom1" elementType="C" x2="121230.0" y2="163160.0"/> <atom id="CPD-7651-atom2" elementType="C" x2="121230.0" y2="246100.0"/> <atom id="CPD-7651-atom3" elementType="C" x2="192280.0" y2="288030.0"/> <atom id="CPD-7651-atom4" elementType="C" x2="264230.0" y2="246100.0"/> <atom id="CPD-7651-atom5" elementType="C" x2="264230.0" y2="163160.0"/> <atom id="CPD-7651-atom6" elementType="C" x2="192280.0" y2="122140.0"/> <atom id="CPD-7651-atom7" elementType="C" x2="192050.0" y2="40110.0"/> <atom id="CPD-7651-atom8" elementType="C" x2="262980.0" y2="-1100.0"/> <atom id="CPD-7651-atom9" elementType="O" x2="333990.0" y2="39950.0" formalCharge="-1"/> <atom id="CPD-7651-atom10" elementType="O" x2="262480.0" y2="-83150.0"/> <atom id="CPD-7651-atom11" elementType="O" x2="192050.0" y2="370060.0"/> <atom id="CPD-7651-atom12" elementType="O" x2="335360.0" y2="286980.0"/> <atom id="CPD-7651-atom13" elementType="C" x2="392950.0" y2="346050.0"/> <bond id="CPD-7651-bond1" atomRefs="CPD-7651-atom4 CPD-7651-atom12" order="1"/> <bond id="CPD-7651-bond2" atomRefs="CPD-7651-atom3 CPD-7651-atom11" order="1"/> <bond id="CPD-7651-bond3" atomRefs="CPD-7651-atom7 CPD-7651-atom8" order="1"/> <bond id="CPD-7651-bond4" atomRefs="CPD-7651-atom8 CPD-7651-atom10" order="2"/> <bond id="CPD-7651-bond5" atomRefs="CPD-7651-atom8 CPD-7651-atom9" order="1"/> <bond id="CPD-7651-bond6" atomRefs="CPD-7651-atom6 CPD-7651-atom7" order="1"/> <bond id="CPD-7651-bond7" atomRefs="CPD-7651-atom6 CPD-7651-atom5" order="2"/> <bond id="CPD-7651-bond8" atomRefs="CPD-7651-atom5 CPD-7651-atom4" order="1"/> <bond id="CPD-7651-bond9" atomRefs="CPD-7651-atom4 CPD-7651-atom3" order="2"/> <bond id="CPD-7651-bond10" atomRefs="CPD-7651-atom3 CPD-7651-atom2" order="1"/> <bond id="CPD-7651-bond11" atomRefs="CPD-7651-atom2 CPD-7651-atom1" order="2"/> <bond id="CPD-7651-bond12" atomRefs="CPD-7651-atom1 CPD-7651-atom6" order="1"/> <bond id="CPD-7651-bond13" atomRefs="CPD-7651-atom12 CPD-7651-atom13" order="1"/> <formula …

CHEBI CHEBI:15717
structure data: InChI%3D1S%2FC29H50O2%2Fc1-19%282%298-7-9-20%283%2922-11-12-23-21-10-13-25-28%285%2C24%2821%2914-16-27%2822%2C23%294%2917-15-26%2831%2929%2825%2C6%2918-30%2Fh10%2C19-20%2C22-26%2C30-31H%2C7-9%2C11-18H2%2C1-6H3%2Ft20-%2C22-%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2C28-%2C29-%2Fm1%2Fs1

biopax-level3ChemicalStructure132388
structure data: <atom id="CYSTAMINE-atom1" elementType="S" x2="-5668.0" y2="-5875.0"/> <atom id="CYSTAMINE-atom2" elementType="C" x2="1477.0" y2="-10000.0"/> <atom id="CYSTAMINE-atom3" elementType="C" x2="8622.0" y2="-5875.0"/> <atom id="CYSTAMINE-atom4" elementType="N" x2="15766.0" y2="-10000.0" formalCharge="1"/> <atom id="CYSTAMINE-atom5" elementType="S" x2="-12812.0" y2="-10000.0"/> <atom id="CYSTAMINE-atom6" elementType="C" x2="-19956.0" y2="-5875.0"/> <atom id="CYSTAMINE-atom7" elementType="C" x2="-27101.0" y2="-10000.0"/> <atom id="CYSTAMINE-atom8" elementType="N" x2="-34246.0" y2="-5875.0" formalCharge="1"/> <bond id="CYSTAMINE-bond1" atomRefs="CYSTAMINE-atom7 CYSTAMINE-atom8" order="1"/> <bond id="CYSTAMINE-bond2" atomRefs="CYSTAMINE-atom6 CYSTAMINE-atom7" order="1"/> <bond id="CYSTAMINE-bond3" atomRefs="CYSTAMINE-atom5 CYSTAMINE-atom6" order="1"/> <bond id="CYSTAMINE-bond4" atomRefs="CYSTAMINE-atom3 CYSTAMINE-atom4" order="1"/> <bond id="CYSTAMINE-bond5" atomRefs="CYSTAMINE-atom2 CYSTAMINE-atom3" order="1"/> <bond id="CYSTAMINE-bond6" atomRefs="CYSTAMINE-atom1 CYSTAMINE-atom2" order="1"/> <bond id="CYSTAMINE-bond7" atomRefs="CYSTAMINE-atom5 CYSTAMINE-atom1" order="1"/> <formula concise="H 14 N 2 C 4 S 2"/> 154.288 C(CSSCC[N+])[N+]

biopax-level3ChemicalStructure138725
structure data: <atom id="KYNURENATE-atom1" elementType="O" x2="215520.0" y2="-94910.0"/> <atom id="KYNURENATE-atom2" elementType="O" x2="-710.0" y2="112040.0" formalCharge="-1"/> <atom id="KYNURENATE-atom3" elementType="C" x2="-216230.0" y2="-12130.0"/> <atom id="KYNURENATE-atom4" elementType="N" x2="-710.0" y2="-133450.0"/> <atom id="KYNURENATE-atom5" elementType="C" x2="-72790.0" y2="-12130.0"/> <atom id="KYNURENATE-atom6" elementType="C" x2="-710.0" y2="29260.0"/> <atom id="KYNURENATE-atom7" elementType="C" x2="70650.0" y2="-92060.0"/> <atom id="KYNURENATE-atom8" elementType="O" x2="142020.0" y2="-216230.0" formalCharge="-1"/> <atom id="KYNURENATE-atom9" elementType="C" x2="-216230.0" y2="-92060.0"/> <atom id="KYNURENATE-atom10" elementType="C" x2="142020.0" y2="-133450.0"/> <atom id="KYNURENATE-atom11" elementType="C" x2="70650.0" y2="-12130.0"/> <atom id="KYNURENATE-atom12" elementType="C" x2="-144160.0" y2="-133450.0"/> <atom id="KYNURENATE-atom13" elementType="C" x2="-144160.0" y2="29260.0"/> <atom id="KYNURENATE-atom14" elementType="C" x2="-72790.0" y2="-92060.0"/> <bond id="KYNURENATE-bond1" atomRefs="KYNURENATE-atom14 KYNURENATE-atom4" order="1"/> <bond id="KYNURENATE-bond2" atomRefs="KYNURENATE-atom13 KYNURENATE-atom5" order="2"/> <bond id="KYNURENATE-bond3" atomRefs="KYNURENATE-atom14 KYNURENATE-atom12" order="2"/> <bond id="KYNURENATE-bond4" atomRefs="KYNURENATE-atom7 KYNURENATE-atom11" order="1"/> <bond id="KYNURENATE-bond5" atomRefs="KYNURENATE-atom10 KYNURENATE-atom7" order="1"/> <bond id="KYNURENATE-bond6" atomRefs="KYNURENATE-atom12 KYNURENATE-atom9" order="1"/> <bond id="KYNURENATE-bond7" atomRefs="KYNURENATE-atom8 KYNURENATE-atom10" order="1"/> <bond id="KYNURENATE-bond8" atomRefs="KYNURENATE-atom4 KYNURENATE-atom7" order="2"/> <bond id="KYNURENATE-bond9" atomRefs="KYNURENATE-atom11 KYNURENATE-atom6" order="2"/> <bond id="KYNURENATE-bond10" atomRefs="KYNURENATE-atom6 KYNURENATE-atom5" order="1"/> <bond id="KYNURENATE-bond11" atomRefs="KYNURENATE-atom5 KYNURENAT…

biopax-level3ChemicalStructure166621
structure data: <cml> <molecule id="D-Amino-Acids" title="a D-amino acid" formalCharge="0" dictRef="dictD-Amino-Acids"> <atomArray> <atom id="D-Amino-Acids-atom1" elementType="R" x2="2141500.0" y2="-1236900.0"/> <atom id="D-Amino-Acids-atom2" elementType="O" x2="713700.0" y2="-2060200.0"/> <atom id="D-Amino-Acids-atom3" elementType="O" x2="-700.0" y2="-824300.0" formalCharge="-1"/> <atom id="D-Amino-Acids-atom4" elementType="N" x2="1428100.0" y2="0.0" formalCharge="1"/> <atom id="D-Amino-Acids-atom5" elementType="C" x2="713700.0" y2="-1236900.0"/> <atom id="D-Amino-Acids-atom6" elementType="C" x2="1428100.0" y2="-824300.0"/> </atomArray> <bondArray> <bond id="D-Amino-Acids-bond1" atomRefs="D-Amino-Acids-atom1 D-Amino-Acids-atom6" order="1"/> <bond id="D-Amino-Acids-bond2" atomRefs="D-Amino-Acids-atom2 D-Amino-Acids-atom5" order="2"/> <bond id="D-Amino-Acids-bond3" atomRefs="D-Amino-Acids-atom3 D-Amino-Acids-atom5" order="1"/> <bond id="D-Amino-Acids-bond4" atomRefs="D-Amino-Acids-atom6 D-Amino-Acids-atom4" order="1"/> <bond id="D-Amino-Acids-bond5" atomRefs="D-Amino-Acids-atom5 D-Amino-Acids-atom6" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(C([N+])[R])([O-])=O</string> </molecule> </cml>

CHEBI CHEBI:17310
structure data: InChI%3D1S%2FC8H9NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C4%2C10%2C12H%2C3H2%2C1H3

CHEBI CHEBI:15632
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19%2824-23%2917-15-18-20%2821%2922%2Fh6-7%2C9-10%2C12-14%2C16%2C19%2C23H%2C2-5%2C8%2C11%2C15%2C17-18H2%2C1H3%2C%28H%2C21%2C22%29%2Fb7-6-%2C10-9-%2C13-12-%2C16-14%2B%2Ft19-%2Fm1%2Fs1

biopax-level3ChemicalStructure139468
structure data: <atom id="CPD-11937-atom1" elementType="O" x2="659400.0" y2="-328500.0"/> <atom id="CPD-11937-atom2" elementType="O" x2="614400.0" y2="-142300.0"/> <atom id="CPD-11937-atom3" elementType="O" x2="436500.0" y2="-660000.0"/> <atom id="CPD-11937-atom4" elementType="O" x2="354000.0" y2="-82500.0"/> <atom id="CPD-11937-atom5" elementType="O" x2="149000.0" y2="-491800.0"/> <atom id="CPD-11937-atom6" elementType="O" x2="259300.0" y2="-136000.0"/> <atom id="CPD-11937-atom7" elementType="O" x2="659800.0" y2="-493500.0" formalCharge="-1"/> <atom id="CPD-11937-atom8" elementType="O" x2="744400.0" y2="-412000.0" formalCharge="-1"/> <atom id="CPD-11937-atom9" elementType="O" x2="695400.0" y2="-286100.0" formalCharge="-1"/> <atom id="CPD-11937-atom10" elementType="O" x2="729200.0" y2="-178400.0" formalCharge="-1"/> <atom id="CPD-11937-atom11" elementType="O" x2="519000.0" y2="-577500.0" formalCharge="-1"/> <atom id="CPD-11937-atom12" elementType="O" x2="354000.0" y2="-577500.0" formalCharge="-1"/> <atom id="CPD-11937-atom13" elementType="O" x2="436500.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-11937-atom14" elementType="O" x2="519000.0" y2="-82500.0" formalCharge="-1"/> <atom id="CPD-11937-atom15" elementType="O" x2="256300.0" y2="-526900.0" formalCharge="-1"/> <atom id="CPD-11937-atom16" elementType="O" x2="183400.0" y2="-378900.0" formalCharge="-1"/> <atom id="CPD-11937-atom17" elementType="O" x2="182200.0" y2="-281900.0" formalCharge="-1"/> <atom id="CPD-11937-atom18" elementType="O" x2="579400.0" y2="-412500.0"/> <atom id="CPD-11937-atom19" elementType="O" x2="579400.0" y2="-247500.0"/> <atom id="CPD-11937-atom20" elementType="O" x2="436500.0" y2="-495000.0"/> <atom id="CPD-11937-atom21" elementType="O" x2="436500.0" y2="-165000.0"/> <atom id="CPD-11937-atom22" elementType="O" x2="293600.0" y2="-412500.0"/> <atom id="CPD-11937-atom23" elementType="O" x2="293600.0" y2="-247500.0"/> <atom id="CPD-11937-atom24" elementType="O" x2="145700.0" y2="-174700.0"/> <atom id="CPD-11937…

CHEBI CHEBI:61391
structure data: InChI%3D1S%2FC18H32O2%2Fc19-18%2820%2916-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17%2Fh11%2C14%2C17H%2C1-10%2C12-13%2C15-16H2%2C%28H%2C19%2C20%29%2Ft17-%2Fm1%2Fs1

CHEBI CHEBI:17769
structure data: InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2

CHEBI CHEBI:57734
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-2-3%288%294%289%295%2810%296%2814-2%2915-16%2811%2C12%2913%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2%3F%2C3%3F%2C4%3F%2C5%3F%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure171219
structure data: <cml> <molecule id="Thyroglobulin-L-tyrosines" title="[thyroglobulin]-L-tyrosine" formalCharge="0" dictRef="dictThyroglobulin-L-tyrosines"> <atomArray> <atom id="Thyroglobulin-L-tyrosines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-tyrosines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-tyrosines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-tyrosines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-tyrosines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-tyrosines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-L-tyrosines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-tyrosines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-L-tyrosines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-L-tyrosines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-L-tyrosines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-tyrosines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-L-tyrosines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-tyrosines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-L-tyrosines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-tyrosines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-tyrosines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> </atomArray> <bondArray> <bond id="Thyroglobulin-L-tyrosines-bond1" atomRefs="Thyroglobulin-L-tyrosines-atom1 Thyroglobulin-L-tyrosines-atom2" order="1"/> <bond id="Thyroglobulin-L-tyrosines-bond2" atomRefs="Thyroglobulin-L-tyrosines-atom2 Thyroglobulin-L-tyrosines-atom3" order="1"/> <bond id="Thyroglobulin-L-tyrosines-bond3" at…

biopax-level3ChemicalStructure141664
structure data: <cml> <molecule id="CPD-1113" title="6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol" formalCharge="-1" dictRef="dictCPD-1113"> <atomArray> <atom id="CPD-1113-atom1" elementType="H" x2="1681.0" y2="-6873.0"/> <atom id="CPD-1113-atom2" elementType="N" x2="5334.0" y2="-4058.0"/> <atom id="CPD-1113-atom3" elementType="O" x2="3402.0" y2="-8286.0"/> <atom id="CPD-1113-atom4" elementType="O" x2="1280.0" y2="-7606.0"/> <atom id="CPD-1113-atom5" elementType="O" x2="3193.0" y2="-4303.0"/> <atom id="CPD-1113-atom6" elementType="O" x2="7533.0" y2="-969.0"/> <atom id="CPD-1113-atom7" elementType="O" x2="6916.0" y2="-4528.0"/> <atom id="CPD-1113-atom8" elementType="O" x2="2422.0" y2="0.0"/> <atom id="CPD-1113-atom9" elementType="O" x2="1129.0" y2="-1008.0"/> <atom id="CPD-1113-atom10" elementType="O" x2="8113.0" y2="-3393.0"/> <atom id="CPD-1113-atom11" elementType="O" x2="3938.0" y2="-620.0"/> <atom id="CPD-1113-atom12" elementType="O" x2="1355.0" y2="-2638.0"/> <atom id="CPD-1113-atom13" elementType="O" x2="1674.0" y2="-3665.0" formalCharge="-1"/> <atom id="CPD-1113-atom14" elementType="R" x2="4647.0" y2="-7528.0"/> <atom id="CPD-1113-atom15" elementType="R" x2="0.0" y2="-6906.0"/> <atom id="CPD-1113-atom16" elementType="C" x2="7729.0" y2="-1789.0"/> <atom id="CPD-1113-atom17" elementType="C" x2="2526.0" y2="-6848.0"/> <atom id="CPD-1113-atom18" elementType="C" x2="2492.0" y2="-5390.0"/> <atom id="CPD-1113-atom19" elementType="O" x2="3367.0" y2="-6828.0"/> <atom id="CPD-1113-atom20" elementType="O" x2="2054.0" y2="-4670.0"/> <atom id="CPD-1113-atom21" elementType="O" x2="6339.0" y2="-2121.0"/> <atom id="CPD-1113-atom22" elementType="O" x2="4156.0" y2="-2230.0"/> <atom id="CPD-1113-atom23" elementType="O" x2="1246.0" y2="-6148.0"/> <atom id="CPD-1113-atom24" elementType="O" x2="2876.0" y2="-3240.0"/> <atom id="CPD-1113-atom25" elementType="C" x2="3805.0" y2="-7547.0"/> <atom id="CPD-1113-atom26" elementType="C" x2="842.0" y2="-6887.0"/> <atom id="CPD-1113-atom27" elemen…

CHEBI CHEBI:64844
structure data: InChI%3D1S%2FC37H71O8P%2Fc1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37%2839%2945-35%2834-44-46%2840%2C41%2942%2933-43-36%2838%2931-29-27-25-23-21-19-16-14-12-10-8-6-4-2%2Fh17-18%2C35H%2C3-16%2C19-34H2%2C1-2H3%2C%28H2%2C40%2C41%2C42%29%2Fb18-17-%2Ft35-%2Fm1%2Fs1

biopax-level3ChemicalStructure167102
structure data: <cml> <molecule id="CPD-11445" title="BM15766" formalCharge="0" dictRef="dictCPD-11445"> <atomArray> <atom id="CPD-11445-atom1" elementType="C" x2="-82203.0" y2="-6777.0"/> <atom id="CPD-11445-atom2" elementType="C" x2="-89347.0" y2="-2652.0"/> <atom id="CPD-11445-atom3" elementType="C" x2="-89347.0" y2="5598.0"/> <atom id="CPD-11445-atom4" elementType="C" x2="-82203.0" y2="9723.0"/> <atom id="CPD-11445-atom5" elementType="C" x2="-75059.0" y2="5598.0"/> <atom id="CPD-11445-atom6" elementType="C" x2="-75059.0" y2="-2652.0"/> <atom id="CPD-11445-atom7" elementType="C" x2="-67914.0" y2="-6777.0"/> <atom id="CPD-11445-atom8" elementType="C" x2="-60769.0" y2="-2652.0"/> <atom id="CPD-11445-atom9" elementType="C" x2="-53625.0" y2="-6777.0"/> <atom id="CPD-11445-atom10" elementType="C" x2="-46481.0" y2="5598.0"/> <atom id="CPD-11445-atom11" elementType="N" x2="-46481.0" y2="-2652.0"/> <atom id="CPD-11445-atom12" elementType="C" x2="-39336.0" y2="-6777.0"/> <atom id="CPD-11445-atom13" elementType="C" x2="-39336.0" y2="9723.0"/> <atom id="CPD-11445-atom14" elementType="N" x2="-32192.0" y2="5598.0" formalCharge="1"/> <atom id="CPD-11445-atom15" elementType="C" x2="-32192.0" y2="-2652.0"/> <atom id="CPD-11445-atom16" elementType="C" x2="-25047.0" y2="9723.0"/> <atom id="CPD-11445-atom17" elementType="C" x2="-17902.0" y2="5598.0"/> <atom id="CPD-11445-atom18" elementType="C" x2="-10759.0" y2="17973.0"/> <atom id="CPD-11445-atom19" elementType="C" x2="-10759.0" y2="9723.0"/> <atom id="CPD-11445-atom20" elementType="C" x2="-3614.0" y2="5598.0"/> <atom id="CPD-11445-atom21" elementType="C" x2="-3614.0" y2="22098.0"/> <atom id="CPD-11445-atom22" elementType="C" x2="3531.0" y2="17973.0"/> <atom id="CPD-11445-atom23" elementType="C" x2="3531.0" y2="9723.0"/> <atom id="CPD-11445-atom24" elementType="C" x2="11499.0" y2="20108.0"/> <atom id="CPD-11445-atom25" elementType="O" x2="17332.0" y2="14275.0"/> <atom id="CPD-11445-atom26" elementType="O" x2="17332.0" y2="25941.0" formalCharge="-…

CHEBI CHEBI:17388
structure data: InChI%3D1S%2FC5H7NO2%2Fc7-5%288%294-2-1-3-6-4%2Fh3-4H%2C1-2H2%2C%28H%2C7%2C8%29%2Fp-1%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:49150
structure data: InChI%3D1S%2FC10H16O%2Fc1-8-4-5-9%286-7-11%2910%288%2C2%293%2Fh4%2C7%2C9H%2C5-6H2%2C1-3H3%2Ft9-%2Fm1%2Fs1

CHEBI CHEBI:29055
structure data: InChI%3D1S%2FC9H8O5%2Fc10-6-2-1-5%283-7%286%2911%294-8%2812%299%2813%2914%2Fh1-3%2C10-11H%2C4H2%2C%28H%2C13%2C14%29%2Fp-1

biopax-level3ChemicalStructure173806
structure data: <atom id="CPD-3487-atom1" elementType="O" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3487-atom2" elementType="O" x2="2143.0" y2="-3300.0"/> <atom id="CPD-3487-atom3" elementType="O" x2="5001.0" y2="-2475.0" formalCharge="-1"/> <atom id="CPD-3487-atom4" elementType="CL" x2="714.0" y2="0.0"/> <atom id="CPD-3487-atom5" elementType="C" x2="0.0" y2="-2062.0"/> <atom id="CPD-3487-atom6" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3487-atom7" elementType="C" x2="714.0" y2="-2475.0"/> <atom id="CPD-3487-atom8" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3487-atom9" elementType="C" x2="3572.0" y2="-2475.0"/> <atom id="CPD-3487-atom10" elementType="N" x2="2858.0" y2="-2062.0"/> <atom id="CPD-3487-atom11" elementType="C" x2="4287.0" y2="-2062.0"/> <atom id="CPD-3487-atom12" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3487-atom13" elementType="C" x2="714.0" y2="-825.0"/> <atom id="CPD-3487-atom14" elementType="C" x2="1429.0" y2="-2062.0"/> <bond id="CPD-3487-bond1" atomRefs="CPD-3487-atom12 CPD-3487-atom14" order="1"/> <bond id="CPD-3487-bond2" atomRefs="CPD-3487-atom10 CPD-3487-atom12" order="1"/> <bond id="CPD-3487-bond3" atomRefs="CPD-3487-atom9 CPD-3487-atom11" order="1"/> <bond id="CPD-3487-bond4" atomRefs="CPD-3487-atom9 CPD-3487-atom10" order="1"/> <bond id="CPD-3487-bond5" atomRefs="CPD-3487-atom14 CPD-3487-atom8" order="2"/> <bond id="CPD-3487-bond6" atomRefs="CPD-3487-atom8 CPD-3487-atom13" order="1"/> <bond id="CPD-3487-bond7" atomRefs="CPD-3487-atom7 CPD-3487-atom14" order="1"/> <bond id="CPD-3487-bond8" atomRefs="CPD-3487-atom13 CPD-3487-atom6" order="2"/> <bond id="CPD-3487-bond9" atomRefs="CPD-3487-atom5 CPD-3487-atom7" order="2"/> <bond id="CPD-3487-bond10" atomRefs="CPD-3487-atom6 CPD-3487-atom5" order="1"/> <bond id="CPD-3487-bond11" atomRefs="CPD-3487-atom4 CPD-3487-atom13" order="1"/> <bond id="CPD-3487-bond12" atomRefs="CPD-3487-atom3 CPD-3487-atom11" order="1"/> <bond id="CPD-3487-bond13" atomRefs="CPD-3487-atom2 CPD-3487-…

CHEBI CHEBI:48414
structure data: InChI%3D1S%2FC26H36O5%2Fc1-18%282%297-6-8-19%283%2925-21%2817-27%2912-15-23%2826%2825%2930-5%2931-24%2828%2916-11-20-9-13-22%2829-4%2914-10-20%2Fh8-11%2C13-14%2C16-18%2C21%2C23%2C25-26H%2C6-7%2C12%2C15H2%2C1-5H3%2Fb16-11%2B%2C19-8%2B%2Ft21-%2C23-%2C25-%2C26-%2Fm1%2Fs1

CHEBI CHEBI:37108
structure data: InChI%3D1S%2FC9H18O2%2Fc1-8%282%296-4-3-5-7-9%2810%2911%2Fh8H%2C3-7H2%2C1-2H3%2C%28H%2C10%2C11%29

CHEBI CHEBI:37640
structure data: InChI%3D1S%2FC27H46O3%2Fc1-16%282%2923%2829%299-6-17%283%2920-7-8-21-25-22%2811-13-27%2820%2C21%295%2926%284%2912-10-19%2828%2914-18%2826%2915-24%2825%2930%2Fh15-17%2C19-25%2C28-30H%2C6-14H2%2C1-5H3%2Ft17-%2C19%2B%2C20-%2C21%2B%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:33813
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi1%2B2

biopax-level3ChemicalStructure157833
structure data: <atom id="SQUALENE-atom1" elementType="C" x2="360.0" y2="-2834.0"/> <atom id="SQUALENE-atom2" elementType="C" x2="5291.0" y2="868.0"/> <atom id="SQUALENE-atom3" elementType="C" x2="-3887.0" y2="448.0"/> <atom id="SQUALENE-atom4" elementType="C" x2="3185.0" y2="-2834.0"/> <atom id="SQUALENE-atom5" elementType="C" x2="-1729.0" y2="1694.0"/> <atom id="SQUALENE-atom6" elementType="C" x2="1062.0" y2="-3238.0"/> <atom id="SQUALENE-atom7" elementType="C" x2="1764.0" y2="-5309.0"/> <atom id="SQUALENE-atom8" elementType="C" x2="-1027.0" y2="-378.0"/> <atom id="SQUALENE-atom9" elementType="C" x2="3887.0" y2="868.0"/> <atom id="SQUALENE-atom10" elementType="C" x2="-1729.0" y2="868.0"/> <atom id="SQUALENE-atom11" elementType="C" x2="1764.0" y2="-4484.0"/> <atom id="SQUALENE-atom12" elementType="C" x2="4607.0" y2="448.0"/> <atom id="SQUALENE-atom13" elementType="C" x2="3185.0" y2="-2009.0"/> <atom id="SQUALENE-atom14" elementType="C" x2="-1027.0" y2="448.0"/> <atom id="SQUALENE-atom15" elementType="C" x2="2484.0" y2="-3238.0"/> <atom id="SQUALENE-atom16" elementType="C" x2="-2448.0" y2="448.0"/> <atom id="SQUALENE-atom17" elementType="C" x2="4607.0" y2="-378.0"/> <atom id="SQUALENE-atom18" elementType="C" x2="-4607.0" y2="1694.0"/> <atom id="SQUALENE-atom19" elementType="C" x2="3887.0" y2="-1588.0"/> <atom id="SQUALENE-atom20" elementType="C" x2="2466.0" y2="-1588.0"/> <atom id="SQUALENE-atom21" elementType="C" x2="-4607.0" y2="868.0"/> <atom id="SQUALENE-atom22" elementType="C" x2="360.0" y2="-2009.0"/> <atom id="SQUALENE-atom23" elementType="C" x2="1062.0" y2="-4063.0"/> <atom id="SQUALENE-atom24" elementType="C" x2="-325.0" y2="-1588.0"/> <atom id="SQUALENE-atom25" elementType="C" x2="-5309.0" y2="448.0"/> <atom id="SQUALENE-atom26" elementType="C" x2="-3168.0" y2="868.0"/> <atom id="SQUALENE-atom27" elementType="C" x2="-325.0" y2="-781.0"/> <atom id="SQUALENE-atom28" elementType="C" x2="3887.0" y2="-781.0"/> <atom id="SQUALENE-atom29" elementType="C" x2="2484.0" y2="-4063.0"…

CHEBI CHEBI:32285
structure data: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1

CHEBI CHEBI:65211
structure data: InChI%3D1S%2FC32H64NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-31%2834%2938-28-30%2829-40-42%2836%2C37%2939-27-26-33%283%2C4%295%2941-32%2835%2925-23-21-19-17-15-13-11-9-7-2%2Fh30H%2C6-29H2%2C1-5H3%2Ft30-%2Fm1%2Fs1

biopax-level3ChemicalStructure142352
structure data: <cml> <molecule id="Alpha-D-Galactosides" title="an alpha-D-galactoside" formalCharge="0"> <atomArray> <atom id="Alpha-D-Galactosides-atom1" elementType="R" x2="1881.0" y2="1054.0"/> <atom id="Alpha-D-Galactosides-atom2" elementType="O" x2="1798.0" y2="1054.0"/> <atom id="Alpha-D-Galactosides-atom3" elementType="C" x2="1726.0" y2="1097.0"/> <atom id="Alpha-D-Galactosides-atom4" elementType="C" x2="1726.0" y2="1179.0"/> <atom id="Alpha-D-Galactosides-atom5" elementType="O" x2="1798.0" y2="1220.0"/> <atom id="Alpha-D-Galactosides-atom6" elementType="C" x2="1583.0" y2="1179.0"/> <atom id="Alpha-D-Galactosides-atom7" elementType="O" x2="1511.0" y2="1220.0"/> <atom id="Alpha-D-Galactosides-atom8" elementType="C" x2="1655.0" y2="1220.0"/> <atom id="Alpha-D-Galactosides-atom9" elementType="C" x2="1583.0" y2="1097.0"/> <atom id="Alpha-D-Galactosides-atom10" elementType="C" x2="1511.0" y2="1054.0"/> <atom id="Alpha-D-Galactosides-atom11" elementType="O" x2="1440.0" y2="1097.0"/> <atom id="Alpha-D-Galactosides-atom12" elementType="O" x2="1655.0" y2="1054.0"/> <atom id="Alpha-D-Galactosides-atom13" elementType="O" x2="1655.0" y2="1303.0"/> </atomArray> <bondArray> <bond id="Alpha-D-Galactosides-bond1" atomRefs="Alpha-D-Galactosides-atom1 Alpha-D-Galactosides-atom2" order="1"/> <bond id="Alpha-D-Galactosides-bond2" atomRefs="Alpha-D-Galactosides-atom3 Alpha-D-Galactosides-atom2" order="1"/> <bond id="Alpha-D-Galactosides-bond3" atomRefs="Alpha-D-Galactosides-atom4 Alpha-D-Galactosides-atom3" order="1"/> <bond id="Alpha-D-Galactosides-bond4" atomRefs="Alpha-D-Galactosides-atom12 Alpha-D-Galactosides-atom3" order="1"/> <bond id="Alpha-D-Galactosides-bond5" atomRefs="Alpha-D-Galactosides-atom12 Alpha-D-Galactosides-atom9" order="1"/> <bond id="Alpha-D-Galactosides-bond6" atomRefs="Alpha-D-Galactosides-atom9 Alpha-D-Galactosides-atom6" order="1"/> <bond id="Alpha-D-Galactosides-bond7" atomRefs="Alpha-D-Galactosides-atom6 Alpha-D-Galactosides-atom8" order="1"/> <bond id="Alpha-D-Gal…

CHEBI CHEBI:64790
structure data: InChI%3D1S%2FC9H12O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1%2C3%2C6-7%2C10H%2C2%2C4-5H2%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:15035
structure data: InChI%3D1S%2FC20H28O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C15H%2C7%2C10%2C14H2%2C1-5H3

biopax-level3ChemicalStructure174086
structure data: <atom id="CPD-10713-atom1" elementType="O" x2="578288.0" y2="47350.0"/> <atom id="CPD-10713-atom2" elementType="C" x2="571138.0" y2="43230.0"/> <atom id="CPD-10713-atom3" elementType="C" x2="435388.0" y2="-51660.0"/> <atom id="CPD-10713-atom4" elementType="C" x2="435388.0" y2="-43410.0"/> <atom id="CPD-10713-atom5" elementType="C" x2="428238.0" y2="-39280.0"/> <atom id="CPD-10713-atom6" elementType="C" x2="421098.0" y2="-43410.0"/> <atom id="CPD-10713-atom7" elementType="C" x2="421098.0" y2="-51660.0"/> <atom id="CPD-10713-atom8" elementType="C" x2="413948.0" y2="-64030.0"/> <atom id="CPD-10713-atom9" elementType="C" x2="413948.0" y2="-55780.0"/> <atom id="CPD-10713-atom10" elementType="C" x2="406808.0" y2="-51660.0"/> <atom id="CPD-10713-atom11" elementType="C" x2="399658.0" y2="-55780.0"/> <atom id="CPD-10713-atom12" elementType="C" x2="399658.0" y2="-64030.0"/> <atom id="CPD-10713-atom13" elementType="C" x2="392518.0" y2="-76410.0"/> <atom id="CPD-10713-atom14" elementType="C" x2="392518.0" y2="-68160.0"/> <atom id="CPD-10713-atom15" elementType="C" x2="385368.0" y2="-64030.0"/> <atom id="CPD-10713-atom16" elementType="C" x2="356789.0" y2="-80530.0"/> <atom id="CPD-10713-atom17" elementType="C" x2="356789.0" y2="-88780.0"/> <atom id="CPD-10713-atom18" elementType="C" x2="349649.0" y2="-101160.0"/> <atom id="CPD-10713-atom19" elementType="C" x2="349649.0" y2="-92910.0"/> <atom id="CPD-10713-atom20" elementType="C" x2="342499.0" y2="-88780.0"/> <atom id="CPD-10713-atom21" elementType="C" x2="313919.0" y2="-113530.0"/> <atom id="CPD-10713-atom22" elementType="C" x2="306779.0" y2="-125900.0"/> <atom id="CPD-10713-atom23" elementType="C" x2="306779.0" y2="-117650.0"/> <atom id="CPD-10713-atom24" elementType="C" x2="299629.0" y2="-113530.0"/> <atom id="CPD-10713-atom25" elementType="C" x2="292479.0" y2="-117650.0"/> <atom id="CPD-10713-atom26" elementType="C" x2="285340.0" y2="-113530.0"/> <atom id="CPD-10713-atom27" elementType="C" x2="278200.0" y2="-117650.0"/> <atom…

biopax-level3ChemicalStructure126666
structure data: <atom id="HIS-atom1" elementType="C" x2="1371.0" y2="977.0"/> <atom id="HIS-atom2" elementType="C" x2="1442.0" y2="936.0"/> <atom id="HIS-atom3" elementType="C" x2="1516.0" y2="977.0"/> <atom id="HIS-atom4" elementType="C" x2="1587.0" y2="936.0"/> <atom id="HIS-atom5" elementType="N" x2="1516.0" y2="1060.0" formalCharge="1"/> <atom id="HIS-atom6" elementType="O" x2="1657.0" y2="977.0" formalCharge="-1"/> <atom id="HIS-atom7" elementType="O" x2="1587.0" y2="851.0"/> <atom id="HIS-atom8" elementType="N" x2="1304.0" y2="929.0"/> <atom id="HIS-atom9" elementType="C" x2="1345.0" y2="1055.0"/> <atom id="HIS-atom10" elementType="N" x2="1263.0" y2="1055.0"/> <atom id="HIS-atom11" elementType="C" x2="1237.0" y2="977.0"/> <bond id="HIS-bond1" atomRefs="HIS-atom4 HIS-atom7" order="2"/> <bond id="HIS-bond2" atomRefs="HIS-atom4 HIS-atom6" order="1"/> <bond id="HIS-bond3" atomRefs="HIS-atom3 HIS-atom5" order="1"/> <bond id="HIS-bond4" atomRefs="HIS-atom3 HIS-atom4" order="1"/> <bond id="HIS-bond5" atomRefs="HIS-atom2 HIS-atom3" order="1"/> <bond id="HIS-bond6" atomRefs="HIS-atom1 HIS-atom2" order="1"/> <bond id="HIS-bond7" atomRefs="HIS-atom8 HIS-atom1" order="1"/> <bond id="HIS-bond8" atomRefs="HIS-atom1 HIS-atom9" order="2"/> <bond id="HIS-bond9" atomRefs="HIS-atom9 HIS-atom10" order="1"/> <bond id="HIS-bond10" atomRefs="HIS-atom10 HIS-atom11" order="1"/> <bond id="HIS-bond11" atomRefs="HIS-atom8 HIS-atom11" order="2"/> <formula concise="H 9 O 2 N 3 C 6"/> 155.156 C(C(CC1(=CNC=N1))[N+])([O-])=O

biopax-level3ChemicalStructure167124
structure data: <atom id="CPD-4506-atom1" elementType="C" x2="16499.0" y2="-26954.0"/> <atom id="CPD-4506-atom2" elementType="C" x2="30228.0" y2="14123.0"/> <atom id="CPD-4506-atom3" elementType="C" x2="30228.0" y2="22715.0"/> <atom id="CPD-4506-atom4" elementType="C" x2="37703.0" y2="9883.0"/> <atom id="CPD-4506-atom5" elementType="C" x2="37703.0" y2="26954.0"/> <atom id="CPD-4506-atom6" elementType="C" x2="74216.0" y2="22715.0"/> <atom id="CPD-4506-atom7" elementType="C" x2="66741.0" y2="26954.0"/> <atom id="CPD-4506-atom8" elementType="C" x2="66741.0" y2="9883.0"/> <atom id="CPD-4506-atom9" elementType="C" x2="23644.0" y2="-14580.0"/> <atom id="CPD-4506-atom10" elementType="C" x2="30789.0" y2="-26954.0"/> <atom id="CPD-4506-atom11" elementType="C" x2="30789.0" y2="-10455.0"/> <atom id="CPD-4506-atom12" elementType="C" x2="37933.0" y2="-22829.0"/> <atom id="CPD-4506-atom13" elementType="C" x2="45077.0" y2="-2205.0"/> <atom id="CPD-4506-atom14" elementType="C" x2="45077.0" y2="-10455.0"/> <atom id="CPD-4506-atom15" elementType="C" x2="52221.0" y2="1920.0"/> <atom id="CPD-4506-atom16" elementType="C" x2="74216.0" y2="14123.0"/> <atom id="CPD-4506-atom17" elementType="C" x2="45077.0" y2="14294.0"/> <atom id="CPD-4506-atom18" elementType="C" x2="45077.0" y2="22544.0"/> <atom id="CPD-4506-atom19" elementType="C" x2="59366.0" y2="22544.0"/> <atom id="CPD-4506-atom20" elementType="C" x2="59366.0" y2="14294.0"/> <atom id="CPD-4506-atom21" elementType="C" x2="81344.0" y2="9970.0"/> <atom id="CPD-4506-atom22" elementType="N" x2="23644.0" y2="-22829.0"/> <atom id="CPD-4506-atom23" elementType="N" x2="37933.0" y2="-14580.0"/> <atom id="CPD-4506-atom24" elementType="N" x2="52221.0" y2="10169.0"/> <atom id="CPD-4506-atom25" elementType="F" x2="88472.0" y2="5818.0"/> <atom id="CPD-4506-atom26" elementType="F" x2="85496.0" y2="17098.0"/> <atom id="CPD-4506-atom27" elementType="F" x2="77191.0" y2="2841.0"/> <atom id="CPD-4506-atom28" elementType="S" x2="52221.0" y2="26669.0"/> <bond id="CPD-4506-…

CHEBI CHEBI:17963
structure data: InChI%3D1S%2FC12H15N%2Fc1-13-9-7-12%288-10-13%2911-5-3-2-4-6-11%2Fh2-7H%2C8-10H2%2C1H3

biopax-level3ChemicalStructure132208
structure data: <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom1" elementType="C" x2="-3010.0" y2="-486090.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom2" elementType="N" x2="82050.0" y2="-519020.0" formalCharge="1"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom3" elementType="N" x2="104570.0" y2="-314390.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom4" elementType="C" x2="125370.0" y2="-448800.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom5" elementType="C" x2="80700.0" y2="-384870.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom6" elementType="N" x2="3750.0" y2="-393110.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom7" elementType="C" x2="-37500.0" y2="-321650.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom8" elementType="O" x2="-104240.0" y2="-370140.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom9" elementType="C" x2="-171000.0" y2="-321650.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom10" elementType="C" x2="-145510.0" y2="-243190.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom11" elementType="C" x2="-62990.0" y2="-243190.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom12" elementType="C" x2="-229340.0" y2="-380000.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom13" elementType="O" x2="-21740.0" y2="-171740.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom14" elementType="O" x2="-186760.0" y2="-171740.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom15" elementType="O" x2="-311840.0" y2="-380000.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom16" elementType="P" x2="-394340.0" y2="-380000.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom17" elementType="O" x2="-476840.0" y2="-380000.0" formalCharge="-1"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom18" elementType="O" x2="-394340.0" y2="-462500.0"/> <atom id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-atom19" elementType="O" x2="-394340.0" y2="-297500.0" formalCharge="-1"/> <bond id="5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE-bond1" atomRefs="5-PHOSPHO…

CHEBI CHEBI:17824
structure data: InChI%3D1S%2FC3H8O%2Fc1-3%282%294%2Fh3-4H%2C1-2H3

CHEBI CHEBI:32585
structure data: InChI%3D1S%2FC9H16O2%2Fc1-2-3-4-6-9%2811%297-5-8-10%2Fh5%2C7-9%2C11H%2C2-4%2C6H2%2C1H3

CHEBI CHEBI:4724
structure data: InChI%3D1S%2FC18H27NO2%2Fc1-2-3-15-21-17-9-7-16%288-10-17%2918%2820%2911-14-19-12-5-4-6-13-19%2Fh7-10H%2C2-6%2C11-15H2%2C1H3

biopax-level3ChemicalStructure167353
structure data: <cml> <molecule id="Long-Chain-Trans-23-Dehydroacyl-CoA" title="a long-chain trans-2,3-dehydroacyl-CoA" formalCharge="-4" dictRef="dictLong-Chain-Trans-23-Dehydroacyl-CoA"> <atomArray> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom1" elementType="O" x2="3370.0" y2="-540290.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom2" elementType="C" x2="212070.0" y2="-407320.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom3" elementType="C" x2="74050.0" y2="-400580.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom4" elementType="C" x2="3370.0" y2="-451080.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom5" elementType="C" x2="139710.0" y2="-446040.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom6" elementType="R" x2="283510.0" y2="-448570.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom7" elementType="C" x2="-593140.0" y2="76710.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom8" elementType="O" x2="-913510.0" y2="-112880.0" formalCharge="-1"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom9" elementType="O" x2="-568210.0" y2="221580.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom10" elementType="O" x2="-777490.0" y2="-262330.0" formalCharge="-1"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom11" elementType="N" x2="-515030.0" y2="50170.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom12" elementType="N" x2="-437920.0" y2="179680.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom13" elementType="O" x2="-881950.0" y2="2170.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom14" elementType="N" x2="-408090.0" y2="-29730.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom15" elementType="N" x2="-567730.0" y2="-442590.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom16" elementType="O" x2="-829900.0" y2="306750.0" formalCharge="-1"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom17" elementType="O" x2="-802360.0" y2="-148340.0"/> <atom id="Long-Chain-Trans-23-Dehydroacyl-CoA-atom18" elem…

CHEBI CHEBI:62458
structure data: InChI%3D1S%2FC30H50O2%2Fc1-25%282%2917-20-19-9-10-22-28%286%2913-12-23%2831%2926%283%2C4%2921%2828%2911-14-30%2822%2C8%2929%2819%2C7%2916-15-27%2820%2C5%2924%2832%2918-25%2Fh9%2C20-24%2C31-32H%2C10-18H2%2C1-8H3%2Ft20-%2C21-%2C22%2B%2C23-%2C24%2B%2C27%2B%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure140948
structure data: <atom id="AGMATHINE-atom1" elementType="N" x2="-1074.0" y2="-2509.0"/> <atom id="AGMATHINE-atom2" elementType="N" x2="2509.0" y2="-2094.0" formalCharge="1"/> <atom id="AGMATHINE-atom3" elementType="C" x2="352.0" y2="-2509.0"/> <atom id="AGMATHINE-atom4" elementType="N" x2="-2517.0" y2="-2517.0" formalCharge="1"/> <atom id="AGMATHINE-atom5" elementType="C" x2="-361.0" y2="-2094.0"/> <atom id="AGMATHINE-atom6" elementType="C" x2="1074.0" y2="-2094.0"/> <atom id="AGMATHINE-atom7" elementType="C" x2="1787.0" y2="-2509.0"/> <atom id="AGMATHINE-atom8" elementType="C" x2="-1795.0" y2="-2094.0"/> <atom id="AGMATHINE-atom9" elementType="N" x2="-1795.0" y2="-1265.0"/> <bond id="AGMATHINE-bond1" atomRefs="AGMATHINE-atom9 AGMATHINE-atom8" order="1"/> <bond id="AGMATHINE-bond2" atomRefs="AGMATHINE-atom7 AGMATHINE-atom6" order="1"/> <bond id="AGMATHINE-bond3" atomRefs="AGMATHINE-atom6 AGMATHINE-atom3" order="1"/> <bond id="AGMATHINE-bond4" atomRefs="AGMATHINE-atom5 AGMATHINE-atom1" order="1"/> <bond id="AGMATHINE-bond5" atomRefs="AGMATHINE-atom4 AGMATHINE-atom8" order="2"/> <bond id="AGMATHINE-bond6" atomRefs="AGMATHINE-atom3 AGMATHINE-atom5" order="1"/> <bond id="AGMATHINE-bond7" atomRefs="AGMATHINE-atom2 AGMATHINE-atom7" order="1"/> <bond id="AGMATHINE-bond8" atomRefs="AGMATHINE-atom1 AGMATHINE-atom8" order="1"/> <formula concise="H 16 C 5 N 4"/> 132.208 C(CCC[N+])NC(=[N+])N guanidine, (4-aminobutyl)-

CHEBI CHEBI:43433
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-3-4%282%295%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft4-%2C5%2B%2Fm1%2Fs1

CHEBI CHEBI:16494
structure data: InChI%3D1S%2FC8H14O2S2%2Fc9-8%2810%294-2-1-3-7-5-6-11-12-7%2Fh7H%2C1-6H2%2C%28H%2C9%2C10%29

CHEBI CHEBI:4670
structure data: InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3

CHEBI CHEBI:10417
structure data: InChI%3D1S%2FC15H26O%2Fc1-11-6-5-8-15%284%299-7-12%2810-13%2811%2915%2914%282%2C3%2916%2Fh12-13%2C16H%2C1%2C5-10H2%2C2-4H3%2Ft12-%2C13%2B%2C15-%2Fm1%2Fs1

biopax-level3ChemicalStructure150694
structure data: <atom id="CPD-11436-atom1" elementType="C" x2="-8839.0" y2="-9429.0"/> <atom id="CPD-11436-atom2" elementType="C" x2="-15984.0" y2="-5304.0"/> <atom id="CPD-11436-atom3" elementType="C" x2="-15984.0" y2="2947.0"/> <atom id="CPD-11436-atom4" elementType="C" x2="-8839.0" y2="7072.0"/> <atom id="CPD-11436-atom5" elementType="C" x2="-1695.0" y2="2947.0"/> <atom id="CPD-11436-atom6" elementType="C" x2="-1695.0" y2="-5304.0"/> <atom id="CPD-11436-atom7" elementType="O" x2="-8839.0" y2="-17678.0" formalCharge="-1"/> <atom id="CPD-11436-atom8" elementType="CL" x2="-23128.0" y2="-9429.0"/> <atom id="CPD-11436-atom9" elementType="CL" x2="5450.0" y2="-9429.0"/> <atom id="CPD-11436-atom10" elementType="N" x2="-8839.0" y2="15322.0" formalCharge="1"/> <atom id="CPD-11436-atom11" elementType="O" x2="-1695.0" y2="19446.0"/> <atom id="CPD-11436-atom12" elementType="O" x2="-15984.0" y2="19446.0" formalCharge="-1"/> <bond id="CPD-11436-bond1" atomRefs="CPD-11436-atom1 CPD-11436-atom2" order="2"/> <bond id="CPD-11436-bond2" atomRefs="CPD-11436-atom2 CPD-11436-atom3" order="1"/> <bond id="CPD-11436-bond3" atomRefs="CPD-11436-atom3 CPD-11436-atom4" order="2"/> <bond id="CPD-11436-bond4" atomRefs="CPD-11436-atom4 CPD-11436-atom5" order="1"/> <bond id="CPD-11436-bond5" atomRefs="CPD-11436-atom5 CPD-11436-atom6" order="2"/> <bond id="CPD-11436-bond6" atomRefs="CPD-11436-atom1 CPD-11436-atom6" order="1"/> <bond id="CPD-11436-bond7" atomRefs="CPD-11436-atom1 CPD-11436-atom7" order="1"/> <bond id="CPD-11436-bond8" atomRefs="CPD-11436-atom2 CPD-11436-atom8" order="1"/> <bond id="CPD-11436-bond9" atomRefs="CPD-11436-atom6 CPD-11436-atom9" order="1"/> <bond id="CPD-11436-bond10" atomRefs="CPD-11436-atom4 CPD-11436-atom10" order="1"/> <bond id="CPD-11436-bond11" atomRefs="CPD-11436-atom10 CPD-11436-atom11" order="2"/> <bond id="CPD-11436-bond12" atomRefs="CPD-11436-atom10 CPD-11436-atom12" order="1"/> <formula concise="H 2 N 1 CL 2 O 3 C 6"/> 206.993 C1([O-])(C(Cl)=CC([N+]([O-])=O)=CC(Cl)=1)

CHEBI CHEBI:28866
structure data: InChI%3D1S%2FC24H48O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24%2825%2926%2Fh2-23H2%2C1H3%2C%28H%2C25%2C26%29

CHEBI CHEBI:28009
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-3%2811%299-5-7%2813%296%2812%294%282-10%2915-8%285%2914%2Fh4-8%2C10%2C12-14H%2C2H2%2C1H3%2C%28H%2C9%2C11%29%2Ft4-%2C5-%2C6-%2C7-%2C8-%2Fm1%2Fs1

CHEBI CHEBI:227
structure data: InChI%3D1S%2FC10H16O%2Fc1-7%282%299-5-4-8%283%2910%2811%296-9%2Fh4%2C9-11H%2C1%2C5-6H2%2C2-3H3%2Ft9-%2C10-%2Fm1%2Fs1

CHEBI CHEBI:17172
structure data: InChI%3D1S%2FC10H13N5O4%2Fc11-10-13-8-7%289%2818%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2919-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C18%29%2Ft4-%2C5%2B%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:17549
structure data: InChI%3D1S%2FC5H9NO3%2Fc6-3-4%287%291-2-5%288%299%2Fh1-3%2C6H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:356416
structure data: InChI%3D1S%2FC5H9NO3%2Fc6-3-4%287%291-2-5%288%299%2Fh1-3%2C6H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:28134
structure data: InChI%3D1S%2FC3H4N4O2%2Fc4-1-5-2%288%297-3%289%296-1%2Fh%28H4%2C4%2C5%2C6%2C7%2C8%2C9%29

biopax-level3ChemicalStructure169616
structure data: <atom id="CPD-7287-atom1" elementType="C" x2="7778.0" y2="-1815.0"/> <atom id="CPD-7287-atom2" elementType="C" x2="8851.0" y2="-2759.0"/> <atom id="CPD-7287-atom3" elementType="C" x2="4790.0" y2="-4131.0"/> <atom id="CPD-7287-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-7287-atom5" elementType="C" x2="4286.0" y2="-3300.0"/> <atom id="CPD-7287-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-7287-atom7" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-7287-atom8" elementType="C" x2="6688.0" y2="-3054.0"/> <atom id="CPD-7287-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-7287-atom10" elementType="C" x2="7497.0" y2="-3216.0"/> <atom id="CPD-7287-atom11" elementType="C" x2="6144.0" y2="-3674.0"/> <atom id="CPD-7287-atom12" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-7287-atom13" elementType="C" x2="5556.0" y2="-2062.0"/> <atom id="CPD-7287-atom14" elementType="C" x2="5071.0" y2="-1395.0"/> <atom id="CPD-7287-atom15" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="CPD-7287-atom16" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-7287-atom17" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="CPD-7287-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-7287-atom19" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-7287-atom20" elementType="C" x2="8042.0" y2="-2597.0"/> <atom id="CPD-7287-atom21" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-7287-atom22" elementType="C" x2="5335.0" y2="-3512.0"/> <atom id="CPD-7287-atom23" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-7287-atom24" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-7287-atom25" elementType="C" x2="5071.0" y2="-2730.0"/> <atom id="CPD-7287-atom26" elementType="C" x2="4286.0" y2="-1650.0"/> <atom id="CPD-7287-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-7287-atom28" elementType="C" x2="4286.0" y2="-2475.0"/> <atom id="CPD-7287-atom29" elementType="H" x2="2858.0" y2="-825.0"/> …

CHEBI CHEBI:59038
structure data: InChI%3D1S%2FC12H12N2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C14H%2C13H2

biopax-level3ChemicalStructure163965
structure data: <atom id="CPD-9869-atom1" elementType="C" x2="5.3518e+7" y2="-2.0625998e+7"/> <atom id="CPD-9869-atom2" elementType="C" x2="8.2095e+7" y2="-2.0625998e+7"/> <atom id="CPD-9869-atom3" elementType="C" x2="1.10675e+8" y2="-2.0625998e+7"/> <atom id="CPD-9869-atom4" elementType="C" x2="1.39256e+8" y2="-2.0625e+7"/> <atom id="CPD-9869-atom5" elementType="C" x2="1.6783501e+8" y2="-2.0625e+7"/> <atom id="CPD-9869-atom6" elementType="C" x2="1.9641501e+8" y2="-2.0625e+7"/> <atom id="CPD-9869-atom7" elementType="C" x2="2.2499398e+8" y2="-2.0624002e+7"/> <atom id="CPD-9869-atom8" elementType="C" x2="2.5357402e+8" y2="-2.0624002e+7"/> <atom id="CPD-9869-atom9" elementType="C" x2="6.0661996e+7" y2="-8253000.0"/> <atom id="CPD-9869-atom10" elementType="C" x2="8.9241e+7" y2="-8253000.0"/> <atom id="CPD-9869-atom11" elementType="C" x2="1.1781901e+8" y2="-8253000.0"/> <atom id="CPD-9869-atom12" elementType="C" x2="1.4639901e+8" y2="-8252000.0"/> <atom id="CPD-9869-atom13" elementType="C" x2="1.7497998e+8" y2="-8252000.0"/> <atom id="CPD-9869-atom14" elementType="C" x2="2.0356002e+8" y2="-8252000.0"/> <atom id="CPD-9869-atom15" elementType="C" x2="2.32138e+8" y2="-8250000.0"/> <atom id="CPD-9869-atom16" elementType="C" x2="2.60718e+8" y2="-8250000.0"/> <atom id="CPD-9869-atom17" elementType="C" x2="6.7806e+7" y2="-1.2378e+7"/> <atom id="CPD-9869-atom18" elementType="C" x2="9.6385e+7" y2="-1.2378e+7"/> <atom id="CPD-9869-atom19" elementType="C" x2="1.24966e+8" y2="-1.2378e+7"/> <atom id="CPD-9869-atom20" elementType="C" x2="1.5354499e+8" y2="-1.2377e+7"/> <atom id="CPD-9869-atom21" elementType="C" x2="1.82124e+8" y2="-1.2377e+7"/> <atom id="CPD-9869-atom22" elementType="C" x2="2.1070499e+8" y2="-1.2377e+7"/> <atom id="CPD-9869-atom23" elementType="C" x2="2.3928499e+8" y2="-1.2376e+7"/> <atom id="CPD-9869-atom24" elementType="C" x2="2.6786301e+8" y2="-1.2376e+7"/> <atom id="CPD-9869-atom25" elementType="C" x2="7.495e+7" y2="-8253000.0"/> <atom id="CPD-9869-atom26" elementType="C" x2="1.0…

CHEBI CHEBI:62455
structure data: InChI%3D1S%2FC30H50O%2Fc1-25%282%2915-16-27%285%2917-18-29%287%2920%2821%2827%2919-25%299-10-23-28%286%2913-12-24%2831%2926%283%2C4%2922%2828%2911-14-30%2823%2C29%298%2Fh19-20%2C22-24%2C31H%2C9-18H2%2C1-8H3%2Ft20-%2C22%2B%2C23-%2C24%2B%2C27-%2C28%2B%2C29-%2C30-%2Fm1%2Fs1

CHEBI CHEBI:28938
structure data: InChI%3D1S%2FH3N%2Fh1H3%2Fp%2B1

CHEBI CHEBI:15955
structure data: InChI%3D1S%2FC14H20N6O2%2Fc1-9%282%293-5-16-12-11-13%2818-7-17-11%2920%288-19-12%296-4-10%2815%2914%2821%2922%2Fh3%2C7-8%2C10%2C16H%2C4-6%2C15H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft10-%2Fm0%2Fs1

CHEBI CHEBI:16842
structure data: InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2

biopax-level3ChemicalStructure165071
structure data: <cml> <molecule id="Protein-Dithiols" title="a protein dithiol" formalCharge="0" dictRef="dictProtein-Dithiols"> <atomArray> <atom id="Protein-Dithiols-atom1" elementType="S" x2="-4437.0" y2="581.0"/> <atom id="Protein-Dithiols-atom2" elementType="S" x2="-2787.0" y2="581.0"/> <atom id="Protein-Dithiols-atom3" elementType="R1" x2="-4437.0" y2="1406.0"/> <atom id="Protein-Dithiols-atom4" elementType="Protein" x2="-5262.0" y2="1406.0"/> <atom id="Protein-Dithiols-atom5" elementType="Protein" x2="-1962.0" y2="1406.0"/> <atom id="Protein-Dithiols-atom6" elementType="R2" x2="-3612.0" y2="1406.0"/> <atom id="Protein-Dithiols-atom7" elementType="R3" x2="-2787.0" y2="1406.0"/> </atomArray> <bondArray> <bond id="Protein-Dithiols-bond1" atomRefs="Protein-Dithiols-atom7 Protein-Dithiols-atom5" order="1"/> <bond id="Protein-Dithiols-bond2" atomRefs="Protein-Dithiols-atom3 Protein-Dithiols-atom4" order="1"/> <bond id="Protein-Dithiols-bond3" atomRefs="Protein-Dithiols-atom3 Protein-Dithiols-atom6" order="1"/> <bond id="Protein-Dithiols-bond4" atomRefs="Protein-Dithiols-atom6 Protein-Dithiols-atom7" order="1"/> <bond id="Protein-Dithiols-bond5" atomRefs="Protein-Dithiols-atom3 Protein-Dithiols-atom1" order="1"/> <bond id="Protein-Dithiols-bond6" atomRefs="Protein-Dithiols-atom7 Protein-Dithiols-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">S[R1]([R2][R3](S)[Protein])[Protein]</string> </molecule> </cml>

CHEBI CHEBI:17826
structure data: InChI%3D1S%2FCH5AsO2%2Fc1-2%283%294%2Fh3-4H%2C1H3

CHEBI CHEBI:41609
structure data: InChI%3D1S%2FCH2O3%2Fc2-1%283%294%2Fh%28H2%2C2%2C3%2C4%29%2Fp-2

biopax-level3ChemicalStructure164779
structure data: <atom id="CPD-8628-atom1" elementType="C" x2="-378130.0" y2="-226250.0"/> <atom id="CPD-8628-atom2" elementType="C" x2="-449570.0" y2="-102500.0"/> <atom id="CPD-8628-atom3" elementType="C" x2="-306680.0" y2="-102500.0"/> <atom id="CPD-8628-atom4" elementType="C" x2="-306680.0" y2="-185000.0"/> <atom id="CPD-8628-atom5" elementType="C" x2="-179730.0" y2="-143750.0"/> <atom id="CPD-8628-atom6" elementType="C" x2="-202720.0" y2="-288950.0"/> <atom id="CPD-8628-atom7" elementType="C" x2="-202720.0" y2="1460.0"/> <atom id="CPD-8628-atom8" elementType="C" x2="-278080.0" y2="35040.0"/> <atom id="CPD-8628-atom9" elementType="C" x2="-269430.0" y2="117080.0"/> <atom id="CPD-8628-atom10" elementType="C" x2="-155150.0" y2="209560.0"/> <atom id="CPD-8628-atom11" elementType="C" x2="226950.0" y2="370510.0"/> <atom id="CPD-8628-atom12" elementType="C" x2="412240.0" y2="270930.0"/> <atom id="CPD-8628-atom13" elementType="C" x2="483680.0" y2="147180.0"/> <atom id="CPD-8628-atom14" elementType="C" x2="610640.0" y2="188420.0"/> <atom id="CPD-8628-atom15" elementType="C" x2="562150.0" y2="255170.0"/> <atom id="CPD-8628-atom16" elementType="C" x2="677750.0" y2="339160.0"/> <atom id="CPD-8628-atom17" elementType="C" x2="692680.0" y2="197050.0"/> <atom id="CPD-8628-atom18" elementType="C" x2="363750.0" y2="204190.0"/> <atom id="CPD-8628-atom19" elementType="C" x2="435190.0" y2="80440.0"/> <atom id="CPD-8628-atom20" elementType="C" x2="285280.0" y2="229680.0"/> <atom id="CPD-8628-atom21" elementType="C" x2="285280.0" y2="312180.0"/> <atom id="CPD-8628-atom22" elementType="C" x2="-188730.0" y2="134210.0"/> <atom id="CPD-8628-atom23" elementType="O" x2="-378130.0" y2="-308750.0"/> <atom id="CPD-8628-atom24" elementType="O" x2="-357770.0" y2="13690.0"/> <atom id="CPD-8628-atom25" elementType="O" x2="-147500.0" y2="62750.0"/> <atom id="CPD-8628-atom26" elementType="O" x2="-310680.0" y2="188530.0"/> <atom id="CPD-8628-atom27" elementType="O" x2="-203620.0" y2="276320.0"/> <atom id="CPD-8628-at…

biopax-level3ChemicalStructure144512
structure data: <cml> <molecule id="L-PHOSPHATIDATE" title="a 1,2-diacyl-sn-glycerol-3-phosphate" formalCharge="-2" dictRef="dictL-PHOSPHATIDATE"> <atomArray> <atom id="L-PHOSPHATIDATE-atom1" elementType="O" x2="3483.0" y2="-5161.0"/> <atom id="L-PHOSPHATIDATE-atom2" elementType="C" x2="4198.0" y2="-4748.0"/> <atom id="L-PHOSPHATIDATE-atom3" elementType="C" x2="4912.0" y2="-5161.0"/> <atom id="L-PHOSPHATIDATE-atom4" elementType="O" x2="5627.0" y2="-4748.0"/> <atom id="L-PHOSPHATIDATE-atom5" elementType="C" x2="4912.0" y2="-5986.0"/> <atom id="L-PHOSPHATIDATE-atom6" elementType="C" x2="6341.0" y2="-5161.0"/> <atom id="L-PHOSPHATIDATE-atom7" elementType="O" x2="6341.0" y2="-5986.0"/> <atom id="L-PHOSPHATIDATE-atom8" elementType="C" x2="2769.0" y2="-4748.0"/> <atom id="L-PHOSPHATIDATE-atom9" elementType="R1" x2="2054.0" y2="-5161.0"/> <atom id="L-PHOSPHATIDATE-atom10" elementType="O" x2="2769.0" y2="-3924.0"/> <atom id="L-PHOSPHATIDATE-atom11" elementType="O" x2="4198.0" y2="-6398.0"/> <atom id="L-PHOSPHATIDATE-atom12" elementType="P" x2="4198.0" y2="-7224.0"/> <atom id="L-PHOSPHATIDATE-atom13" elementType="O" x2="3369.0" y2="-7219.0" formalCharge="-1"/> <atom id="L-PHOSPHATIDATE-atom14" elementType="O" x2="5019.0" y2="-7219.0"/> <atom id="L-PHOSPHATIDATE-atom15" elementType="O" x2="4183.0" y2="-8071.0" formalCharge="-1"/> <atom id="L-PHOSPHATIDATE-atom16" elementType="R2" x2="7056.0" y2="-4748.0"/> </atomArray> <bondArray> <bond id="L-PHOSPHATIDATE-bond1" atomRefs="L-PHOSPHATIDATE-atom1 L-PHOSPHATIDATE-atom2" order="1"/> <bond id="L-PHOSPHATIDATE-bond2" atomRefs="L-PHOSPHATIDATE-atom2 L-PHOSPHATIDATE-atom3" order="1"/> <bond id="L-PHOSPHATIDATE-bond3" atomRefs="L-PHOSPHATIDATE-atom3 L-PHOSPHATIDATE-atom4" order="1"/> <bond id="L-PHOSPHATIDATE-bond4" atomRefs="L-PHOSPHATIDATE-atom3 L-PHOSPHATIDATE-atom5" order="1"/> <bond id="L-PHOSPHATIDATE-bond5" atomRefs="L-PHOSPHATIDATE-atom4 L-PHOSPHATIDATE-atom6" order="1"/> <bond id="L-PHOSPHATIDATE-bond6" atomRefs="L-PHOSPHATIDATE-atom6 L-PHOS…

biopax-level3ChemicalStructure133563
structure data: <atom id="DEOXY-RIBOSE-5P-atom1" elementType="O" x2="-8268.0" y2="-10845.0" formalCharge="-1"/> <atom id="DEOXY-RIBOSE-5P-atom2" elementType="O" x2="-8268.0" y2="-25101.0"/> <atom id="DEOXY-RIBOSE-5P-atom3" elementType="P" x2="-8268.0" y2="-18093.0"/> <atom id="DEOXY-RIBOSE-5P-atom4" elementType="O" x2="-2278.0" y2="-18093.0"/> <atom id="DEOXY-RIBOSE-5P-atom5" elementType="O" x2="-15217.0" y2="-18093.0" formalCharge="-1"/> <atom id="DEOXY-RIBOSE-5P-atom6" elementType="C" x2="8992.0" y2="-6823.0"/> <atom id="DEOXY-RIBOSE-5P-atom7" elementType="O" x2="15667.0" y2="-11673.0"/> <atom id="DEOXY-RIBOSE-5P-atom8" elementType="C" x2="22341.0" y2="-6823.0"/> <atom id="DEOXY-RIBOSE-5P-atom9" elementType="C" x2="19792.0" y2="1023.0"/> <atom id="DEOXY-RIBOSE-5P-atom10" elementType="C" x2="11542.0" y2="1023.0"/> <atom id="DEOXY-RIBOSE-5P-atom11" elementType="O" x2="30310.0" y2="-8958.0"/> <atom id="DEOXY-RIBOSE-5P-atom12" elementType="O" x2="5708.0" y2="6856.0"/> <atom id="DEOXY-RIBOSE-5P-atom13" elementType="C" x2="1847.0" y2="-10948.0"/> <bond id="DEOXY-RIBOSE-5P-bond1" atomRefs="DEOXY-RIBOSE-5P-atom5 DEOXY-RIBOSE-5P-atom3" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond2" atomRefs="DEOXY-RIBOSE-5P-atom3 DEOXY-RIBOSE-5P-atom4" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond3" atomRefs="DEOXY-RIBOSE-5P-atom2 DEOXY-RIBOSE-5P-atom3" order="2"/> <bond id="DEOXY-RIBOSE-5P-bond4" atomRefs="DEOXY-RIBOSE-5P-atom1 DEOXY-RIBOSE-5P-atom3" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond5" atomRefs="DEOXY-RIBOSE-5P-atom10 DEOXY-RIBOSE-5P-atom6" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond6" atomRefs="DEOXY-RIBOSE-5P-atom7 DEOXY-RIBOSE-5P-atom6" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond7" atomRefs="DEOXY-RIBOSE-5P-atom7 DEOXY-RIBOSE-5P-atom8" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond8" atomRefs="DEOXY-RIBOSE-5P-atom8 DEOXY-RIBOSE-5P-atom9" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond9" atomRefs="DEOXY-RIBOSE-5P-atom9 DEOXY-RIBOSE-5P-atom10" order="1"/> <bond id="DEOXY-RIBOSE-5P-bond10" atomRefs="DEOXY-RIBOS…

CHEBI CHEBI:62262
structure data: InChI%3D1S%2FC30H50O%2Fc1-25%282%2915-16-27%285%2917-18-29%287%2921-9-10-22-26%283%2C4%2924%2831%2912-13-28%2822%2C6%2920%2821%2911-14-30%2829%2C8%2923%2827%2919-25%2Fh22-24%2C31H%2C9-19H2%2C1-8H3%2Ft22-%2C23%2B%2C24-%2C27%2B%2C28%2B%2C29%2B%2C30-%2Fm0%2Fs1

CHEBI CHEBI:53459
structure data: InChI%3D1S%2FC10H20O2%2Fc1-9%286-8-11%295-4-7-10%282%2C3%2912%2Fh8-9%2C12H%2C4-7H2%2C1-3H3

CHEBI CHEBI:33806
structure data: InChI%3D1S%2FH2O%2Fh1H2%2Fi%2FhD

biopax-level3ChemicalStructure143537
structure data: <atom id="Poly-ADP-Riboses-atom1" elementType="O" x2="496330.0" y2="172590.0"/> <atom id="Poly-ADP-Riboses-atom2" elementType="C" x2="447450.0" y2="106250.0"/> <atom id="Poly-ADP-Riboses-atom3" elementType="C" x2="-235590.0" y2="101300.0"/> <atom id="Poly-ADP-Riboses-atom4" elementType="C" x2="-210090.0" y2="22840.0"/> <atom id="Poly-ADP-Riboses-atom5" elementType="O" x2="-276840.0" y2="-25660.0"/> <atom id="Poly-ADP-Riboses-atom6" elementType="C" x2="-343580.0" y2="22840.0"/> <atom id="Poly-ADP-Riboses-atom7" elementType="C" x2="-318090.0" y2="101300.0"/> <atom id="Poly-ADP-Riboses-atom8" elementType="C" x2="-131090.0" y2="910.0"/> <atom id="Poly-ADP-Riboses-atom9" elementType="O" x2="-360260.0" y2="172340.0"/> <atom id="Poly-ADP-Riboses-atom10" elementType="O" x2="-214970.0" y2="180590.0"/> <atom id="Poly-ADP-Riboses-atom11" elementType="O" x2="-110000.0" y2="-78840.0"/> <atom id="Poly-ADP-Riboses-atom12" elementType="P" x2="-27500.0" y2="-78840.0"/> <atom id="Poly-ADP-Riboses-atom13" elementType="O" x2="-27960.0" y2="3660.0"/> <atom id="Poly-ADP-Riboses-atom14" elementType="O" x2="-27960.0" y2="-161340.0" formalCharge="-1"/> <atom id="Poly-ADP-Riboses-atom15" elementType="O" x2="55000.0" y2="-78840.0"/> <atom id="Poly-ADP-Riboses-atom16" elementType="P" x2="137500.0" y2="-78840.0"/> <atom id="Poly-ADP-Riboses-atom17" elementType="O" x2="137040.0" y2="-161340.0" formalCharge="-1"/> <atom id="Poly-ADP-Riboses-atom18" elementType="O" x2="137040.0" y2="3660.0"/> <atom id="Poly-ADP-Riboses-atom19" elementType="O" x2="220000.0" y2="-78840.0"/> <atom id="Poly-ADP-Riboses-atom20" elementType="C" x2="473290.0" y2="27410.0"/> <atom id="Poly-ADP-Riboses-atom21" elementType="O" x2="406540.0" y2="-21090.0"/> <atom id="Poly-ADP-Riboses-atom22" elementType="C" x2="339810.0" y2="27410.0"/> <atom id="Poly-ADP-Riboses-atom23" elementType="C" x2="365290.0" y2="105880.0"/> <atom id="Poly-ADP-Riboses-atom24" elementType="O" x2="323130.0" y2="176920.0"/> <atom id="Poly-ADP-Riboses-ato…

biopax-level3ChemicalStructure134584
structure data: <cml> <molecule id="CPD-8624" title="peptidylproline (omega = 180)" formalCharge="0" dictRef="dictCPD-8624"> <atomArray> <atom id="CPD-8624-atom1" elementType="C" x2="2950.0" y2="15270.0"/> <atom id="CPD-8624-atom2" elementType="N" x2="-63800.0" y2="63760.0"/> <atom id="CPD-8624-atom3" elementType="C" x2="-38300.0" y2="142220.0"/> <atom id="CPD-8624-atom4" elementType="C" x2="44200.0" y2="142220.0"/> <atom id="CPD-8624-atom5" elementType="C" x2="69690.0" y2="63760.0"/> <atom id="CPD-8624-atom6" elementType="C" x2="-135240.0" y2="22510.0"/> <atom id="CPD-8624-atom7" elementType="Protein" x2="-206690.0" y2="63760.0"/> <atom id="CPD-8624-atom8" elementType="O" x2="-135240.0" y2="-59990.0"/> <atom id="CPD-8624-atom9" elementType="C" x2="2950.0" y2="-67230.0"/> <atom id="CPD-8624-atom10" elementType="O" x2="-55390.0" y2="-125570.0"/> <atom id="CPD-8624-atom11" elementType="N" x2="74390.0" y2="-108480.0"/> <atom id="CPD-8624-atom12" elementType="Protein" x2="74390.0" y2="-190980.0"/> </atomArray> <bondArray> <bond id="CPD-8624-bond1" atomRefs="CPD-8624-atom1 CPD-8624-atom2" order="1"/> <bond id="CPD-8624-bond2" atomRefs="CPD-8624-atom2 CPD-8624-atom3" order="1"/> <bond id="CPD-8624-bond3" atomRefs="CPD-8624-atom3 CPD-8624-atom4" order="1"/> <bond id="CPD-8624-bond4" atomRefs="CPD-8624-atom4 CPD-8624-atom5" order="1"/> <bond id="CPD-8624-bond5" atomRefs="CPD-8624-atom1 CPD-8624-atom5" order="1"/> <bond id="CPD-8624-bond6" atomRefs="CPD-8624-atom2 CPD-8624-atom6" order="1"/> <bond id="CPD-8624-bond7" atomRefs="CPD-8624-atom6 CPD-8624-atom7" order="1"/> <bond id="CPD-8624-bond8" atomRefs="CPD-8624-atom6 CPD-8624-atom8" order="2"/> <bond id="CPD-8624-bond9" atomRefs="CPD-8624-atom1 CPD-8624-atom9" order="1"/> <bond id="CPD-8624-bond10" atomRefs="CPD-8624-atom9 CPD-8624-atom10" order="2"/> <bond id="CPD-8624-bond11" atomRefs="CPD-8624-atom9 CPD-8624-atom11" order="1"/> <bond id="CPD-8624-bond12" atomRefs="CPD-8624-atom11 CPD-8624-atom12" order="1"/> </bondArray> <formula conci…

biopax-level3ChemicalStructure174064
structure data: <atom id="CPD1G-105-atom1" elementType="C" x2="-55401.0" y2="-21827.0"/> <atom id="CPD1G-105-atom2" elementType="C" x2="-48258.0" y2="-17702.0"/> <atom id="CPD1G-105-atom3" elementType="C" x2="-41113.0" y2="-21827.0"/> <atom id="CPD1G-105-atom4" elementType="C" x2="-33968.0" y2="-17702.0"/> <atom id="CPD1G-105-atom5" elementType="C" x2="-26823.0" y2="-21827.0"/> <atom id="CPD1G-105-atom6" elementType="C" x2="-19679.0" y2="-17702.0"/> <atom id="CPD1G-105-atom7" elementType="C" x2="-12535.0" y2="-21827.0"/> <atom id="CPD1G-105-atom8" elementType="C" x2="-5390.0" y2="-17702.0"/> <atom id="CPD1G-105-atom9" elementType="C" x2="1754.0" y2="-21827.0"/> <atom id="CPD1G-105-atom10" elementType="C" x2="8899.0" y2="-17702.0"/> <atom id="CPD1G-105-atom11" elementType="C" x2="16044.0" y2="-21827.0"/> <atom id="CPD1G-105-atom12" elementType="C" x2="23188.0" y2="-17702.0"/> <atom id="CPD1G-105-atom13" elementType="C" x2="30332.0" y2="-21827.0"/> <atom id="CPD1G-105-atom14" elementType="C" x2="37477.0" y2="-17702.0"/> <atom id="CPD1G-105-atom15" elementType="C" x2="44622.0" y2="-21827.0"/> <atom id="CPD1G-105-atom16" elementType="C" x2="51765.0" y2="-17702.0"/> <atom id="CPD1G-105-atom17" elementType="C" x2="58910.0" y2="-21827.0"/> <atom id="CPD1G-105-atom18" elementType="C" x2="73200.0" y2="-21827.0"/> <atom id="CPD1G-105-atom19" elementType="C" x2="80344.0" y2="-17702.0"/> <atom id="CPD1G-105-atom20" elementType="C" x2="87488.0" y2="-21827.0"/> <atom id="CPD1G-105-atom21" elementType="C" x2="94633.0" y2="-17702.0"/> <atom id="CPD1G-105-atom22" elementType="C" x2="101776.0" y2="-21827.0"/> <atom id="CPD1G-105-atom23" elementType="C" x2="108921.0" y2="-17702.0"/> <atom id="CPD1G-105-atom24" elementType="C" x2="116066.0" y2="-21827.0"/> <atom id="CPD1G-105-atom25" elementType="C" x2="166971.0" y2="-21508.0"/> <atom id="CPD1G-105-atom26" elementType="C" x2="174116.0" y2="-17383.0"/> <atom id="CPD1G-105-atom27" elementType="C" x2="181260.0" y2="-21508.0"/> <atom id="CPD1G-105-atom28"…

CHEBI CHEBI:62085
structure data: InChI%3D1S%2FC31H61O8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-30%2832%2937-27-29%2828-38-40%2834%2C35%2936%2939-31%2833%2926-24-22-20-18-16-14-12-10-8-6-4-2%2Fh29H%2C3-28H2%2C1-2H3%2C%28H2%2C34%2C35%2C36%29

CHEBI CHEBI:48280
structure data: InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3%2Ft11-%2Fm1%2Fs1

biopax-level3ChemicalStructure169971
structure data: <atom id="ADT-atom1" elementType="C" x2="-2357.0" y2="-2062.0"/> <atom id="ADT-atom2" elementType="C" x2="-3072.0" y2="-1650.0"/> <atom id="ADT-atom3" elementType="C" x2="-3072.0" y2="-825.0"/> <atom id="ADT-atom4" elementType="N" x2="-2357.0" y2="-412.0" formalCharge="1"/> <atom id="ADT-atom5" elementType="C" x2="-1643.0" y2="-825.0"/> <atom id="ADT-atom6" elementType="S" x2="-1643.0" y2="-1650.0"/> <atom id="ADT-atom7" elementType="N" x2="-928.0" y2="-412.0"/> <bond id="ADT-bond1" atomRefs="ADT-atom1 ADT-atom2" order="1"/> <bond id="ADT-bond2" atomRefs="ADT-atom2 ADT-atom3" order="1"/> <bond id="ADT-bond3" atomRefs="ADT-atom3 ADT-atom4" order="1"/> <bond id="ADT-bond4" atomRefs="ADT-atom4 ADT-atom5" order="2"/> <bond id="ADT-bond5" atomRefs="ADT-atom5 ADT-atom6" order="1"/> <bond id="ADT-bond6" atomRefs="ADT-atom1 ADT-atom6" order="1"/> <bond id="ADT-bond7" atomRefs="ADT-atom5 ADT-atom7" order="1"/> <formula concise="H 9 S 1 N 2 C 4"/> 117.188 C1(SC(N)=[N+]CC1)

CHEBI CHEBI:28509
structure data: InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2

CHEBI CHEBI:31002
structure data: InChI%3D1S%2FC28H56O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28%2829%2930%2Fh2-27H2%2C1H3%2C%28H%2C29%2C30%29%2Fp-1

CHEBI CHEBI:16000
structure data: InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2

biopax-level3ChemicalStructure163915
structure data: <atom id="CPD-9895-atom1" elementType="C" x2="9.534e+7" y2="-3.7125e+7"/> <atom id="CPD-9895-atom2" elementType="C" x2="1.23918e+8" y2="-3.7125e+7"/> <atom id="CPD-9895-atom3" elementType="C" x2="1.5249699e+8" y2="-3.7125e+7"/> <atom id="CPD-9895-atom4" elementType="C" x2="1.81076e+8" y2="-3.7125e+7"/> <atom id="CPD-9895-atom5" elementType="C" x2="2.0965499e+8" y2="-3.7126e+7"/> <atom id="CPD-9895-atom6" elementType="C" x2="2.38234e+8" y2="-3.7125e+7"/> <atom id="CPD-9895-atom7" elementType="O" x2="2.59668e+8" y2="0.0"/> <atom id="CPD-9895-atom8" elementType="O" x2="2.73957e+8" y2="-1000.0" formalCharge="-1"/> <atom id="CPD-9895-atom9" elementType="O" x2="2.8110202e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom10" elementType="O" x2="2.66812e+8" y2="-3.7125e+7"/> <atom id="CPD-9895-atom11" elementType="C" x2="1.02484e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom12" elementType="C" x2="1.31063e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom13" elementType="C" x2="1.59642e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom14" elementType="C" x2="1.8822099e+8" y2="-2.4751e+7"/> <atom id="CPD-9895-atom15" elementType="C" x2="2.168e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom16" elementType="C" x2="2.45378e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom17" elementType="C" x2="2.73957e+8" y2="-1.65e+7"/> <atom id="CPD-9895-atom18" elementType="C" x2="2.59668e+8" y2="-1.65e+7"/> <atom id="CPD-9895-atom19" elementType="C" x2="1.09629e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom20" elementType="C" x2="1.38208e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom21" elementType="C" x2="1.6678699e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom22" elementType="C" x2="1.95366e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom23" elementType="C" x2="2.23944e+8" y2="-2.8876e+7"/> <atom id="CPD-9895-atom24" elementType="C" x2="2.5252301e+8" y2="-2.8875e+7"/> <atom id="CPD-9895-atom25" elementType="C" x2="1.16774e+8" y2="-2.475e+7"/> <atom id="CPD-9895-atom26" elementType="C" x2="1.45352e+8" y2="-2.475e+7"/> <a…

CHEBI CHEBI:28750
structure data: InChI%3D1S%2FC21H32O3%2Fc1-13%2822%2921%2824%2911-8-18-16-5-4-14-12-15%2823%296-9-19%2814%2C2%2917%2816%297-10-20%2818%2C21%293%2Fh4%2C15-18%2C23-24H%2C5-12H2%2C1-3H3%2Ft15-%2C16%2B%2C17-%2C18-%2C19-%2C20-%2C21-%2Fm0%2Fs1

CHEBI CHEBI:64706
structure data: InChI%3D1S%2FC13H12OS%2Fc1-2-11-8-9-12%2815-11%2913%2814%2910-6-4-3-5-7-10%2Fh3-9H%2C2H2%2C1H3

CHEBI CHEBI:18295
structure data: InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29

biopax-level3ChemicalStructure145375
structure data: <atom id="CPD1G-771-atom1" elementType="C" x2="-55401.0" y2="-21827.0"/> <atom id="CPD1G-771-atom2" elementType="C" x2="-48258.0" y2="-17702.0"/> <atom id="CPD1G-771-atom3" elementType="C" x2="-41113.0" y2="-21827.0"/> <atom id="CPD1G-771-atom4" elementType="C" x2="-33968.0" y2="-17702.0"/> <atom id="CPD1G-771-atom5" elementType="C" x2="-26823.0" y2="-21827.0"/> <atom id="CPD1G-771-atom6" elementType="C" x2="-19679.0" y2="-17702.0"/> <atom id="CPD1G-771-atom7" elementType="C" x2="-12535.0" y2="-21827.0"/> <atom id="CPD1G-771-atom8" elementType="C" x2="-5390.0" y2="-17702.0"/> <atom id="CPD1G-771-atom9" elementType="C" x2="1754.0" y2="-21827.0"/> <atom id="CPD1G-771-atom10" elementType="C" x2="8899.0" y2="-17702.0"/> <atom id="CPD1G-771-atom11" elementType="C" x2="16044.0" y2="-21827.0"/> <atom id="CPD1G-771-atom12" elementType="C" x2="23188.0" y2="-17702.0"/> <atom id="CPD1G-771-atom13" elementType="C" x2="30332.0" y2="-21827.0"/> <atom id="CPD1G-771-atom14" elementType="C" x2="37477.0" y2="-17702.0"/> <atom id="CPD1G-771-atom15" elementType="C" x2="44622.0" y2="-21827.0"/> <atom id="CPD1G-771-atom16" elementType="C" x2="51765.0" y2="-17702.0"/> <atom id="CPD1G-771-atom17" elementType="C" x2="58910.0" y2="-21827.0"/> <atom id="CPD1G-771-atom18" elementType="C" x2="73200.0" y2="-21827.0"/> <atom id="CPD1G-771-atom19" elementType="C" x2="80344.0" y2="-17702.0"/> <atom id="CPD1G-771-atom20" elementType="C" x2="87488.0" y2="-21827.0"/> <atom id="CPD1G-771-atom21" elementType="C" x2="94633.0" y2="-17702.0"/> <atom id="CPD1G-771-atom22" elementType="C" x2="101776.0" y2="-21827.0"/> <atom id="CPD1G-771-atom23" elementType="C" x2="108921.0" y2="-17702.0"/> <atom id="CPD1G-771-atom24" elementType="C" x2="116066.0" y2="-21827.0"/> <atom id="CPD1G-771-atom25" elementType="C" x2="166971.0" y2="-21508.0"/> <atom id="CPD1G-771-atom26" elementType="C" x2="174116.0" y2="-17383.0"/> <atom id="CPD1G-771-atom27" elementType="C" x2="181260.0" y2="-21508.0"/> <atom id="CPD1G-771-atom28"…

biopax-level3ChemicalStructure167216
structure data: <atom id="CPD-8646-atom1" elementType="C" x2="8851.0" y2="-2803.0"/> <atom id="CPD-8646-atom2" elementType="C" x2="7789.0" y2="-1847.0"/> <atom id="CPD-8646-atom3" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-8646-atom4" elementType="C" x2="4287.0" y2="-3300.0"/> <atom id="CPD-8646-atom5" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-8646-atom6" elementType="C" x2="7492.0" y2="-3245.0"/> <atom id="CPD-8646-atom7" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-8646-atom8" elementType="C" x2="6685.0" y2="-3073.0"/> <atom id="CPD-8646-atom9" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-8646-atom10" elementType="C" x2="6133.0" y2="-3686.0"/> <atom id="CPD-8646-atom11" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-8646-atom12" elementType="C" x2="5071.0" y2="-1395.0"/> <atom id="CPD-8646-atom13" elementType="C" x2="5556.0" y2="-2062.0"/> <atom id="CPD-8646-atom14" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="CPD-8646-atom15" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-8646-atom16" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="CPD-8646-atom17" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-8646-atom18" elementType="C" x2="8044.0" y2="-2632.0"/> <atom id="CPD-8646-atom19" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-8646-atom20" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-8646-atom21" elementType="C" x2="5327.0" y2="-3514.0"/> <atom id="CPD-8646-atom22" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-8646-atom23" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="CPD-8646-atom24" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-8646-atom25" elementType="C" x2="5071.0" y2="-2730.0"/> <atom id="CPD-8646-atom26" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-8646-atom27" elementType="C" x2="4287.0" y2="-2475.0"/> <atom id="CPD-8646-atom28" elementType="C" x2="4775.0" y2="-4127.0"/> <bond id="CPD-8646-bond1" atomRefs="CPD-8646-atom1 CPD-8646-atom18" o…

CHEBI CHEBI:39567
structure data: InChI%3D1S%2FC12H24O3%2Fc13-11-9-7-5-3-1-2-4-6-8-10-12%2814%2915%2Fh13H%2C1-11H2%2C%28H%2C14%2C15%29

CHEBI CHEBI:47766
structure data: InChI%3D1S%2FC41H82NO8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40%2843%2947-37-39%2838-49-51%2845%2C46%2948-36-35-42%2950-41%2844%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh39H%2C3-38%2C42H2%2C1-2H3%2C%28H%2C45%2C46%29%2Ft39-%2Fm1%2Fs1

CHEBI CHEBI:30768
structure data: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

biopax-level3ChemicalStructure126691
structure data: <atom id="GLN-atom1" elementType="C" x2="1405.0" y2="1029.0"/> <atom id="GLN-atom2" elementType="C" x2="1475.0" y2="985.0"/> <atom id="GLN-atom3" elementType="C" x2="1333.0" y2="990.0"/> <atom id="GLN-atom4" elementType="N" x2="1407.0" y2="1111.0" formalCharge="1"/> <atom id="GLN-atom5" elementType="C" x2="1548.0" y2="1024.0"/> <atom id="GLN-atom6" elementType="O" x2="1264.0" y2="1037.0" formalCharge="-1"/> <atom id="GLN-atom7" elementType="O" x2="1334.0" y2="908.0"/> <atom id="GLN-atom8" elementType="C" x2="1618.0" y2="981.0"/> <atom id="GLN-atom9" elementType="N" x2="1690.0" y2="1020.0"/> <atom id="GLN-atom10" elementType="O" x2="1619.0" y2="898.0"/> <bond id="GLN-bond1" atomRefs="GLN-atom1 GLN-atom2" order="1"/> <bond id="GLN-bond2" atomRefs="GLN-atom1 GLN-atom3" order="1"/> <bond id="GLN-bond3" atomRefs="GLN-atom1 GLN-atom4" order="1"/> <bond id="GLN-bond4" atomRefs="GLN-atom2 GLN-atom5" order="1"/> <bond id="GLN-bond5" atomRefs="GLN-atom3 GLN-atom6" order="1"/> <bond id="GLN-bond6" atomRefs="GLN-atom3 GLN-atom7" order="2"/> <bond id="GLN-bond7" atomRefs="GLN-atom5 GLN-atom8" order="1"/> <bond id="GLN-bond8" atomRefs="GLN-atom8 GLN-atom9" order="1"/> <bond id="GLN-bond9" atomRefs="GLN-atom8 GLN-atom10" order="2"/> <formula concise="H 10 O 3 N 2 C 5"/> 146.146 C(=O)([O-])C([N+])CCC(=O)N

biopax-level3ChemicalStructure152269
structure data: <cml> <molecule id="CPD-189" title="a CMP-N-acylneuraminate" formalCharge="-1" dictRef="dictCPD-189"> <atomArray> <atom id="CPD-189-atom1" elementType="N" x2="1076020.0" y2="-535140.0"/> <atom id="CPD-189-atom2" elementType="O" x2="276250.0" y2="0.0"/> <atom id="CPD-189-atom3" elementType="O" x2="572290.0" y2="-272890.0"/> <atom id="CPD-189-atom4" elementType="O" x2="932040.0" y2="-287380.0"/> <atom id="CPD-189-atom5" elementType="O" x2="644930.0" y2="-256170.0"/> <atom id="CPD-189-atom6" elementType="O" x2="0.0" y2="-273910.0"/> <atom id="CPD-189-atom7" elementType="O" x2="500700.0" y2="-396850.0"/> <atom id="CPD-189-atom8" elementType="O" x2="142650.0" y2="-191040.0"/> <atom id="CPD-189-atom9" elementType="O" x2="358330.0" y2="-65060.0"/> <atom id="CPD-189-atom10" elementType="O" x2="867300.0" y2="-3540.0"/> <atom id="CPD-189-atom11" elementType="O" x2="214650.0" y2="-397070.0"/> <atom id="CPD-189-atom12" elementType="O" x2="1047240.0" y2="-4320.0"/> <atom id="CPD-189-atom13" elementType="O" x2="644930.0" y2="-91190.0" formalCharge="-1"/> <atom id="CPD-189-atom14" elementType="R" x2="127350.0" y2="-2630.0"/> <atom id="CPD-189-atom15" elementType="C" x2="1148050.0" y2="-410690.0"/> <atom id="CPD-189-atom16" elementType="C" x2="1148090.0" y2="-326940.0"/> <atom id="CPD-189-atom17" elementType="C" x2="71540.0" y2="-314960.0"/> <atom id="CPD-189-atom18" elementType="C" x2="809900.0" y2="-173680.0"/> <atom id="CPD-189-atom19" elementType="C" x2="429540.0" y2="-189730.0"/> <atom id="CPD-189-atom20" elementType="N" x2="1003910.0" y2="-410860.0"/> <atom id="CPD-189-atom21" elementType="N" x2="205060.0" y2="-123870.0"/> <atom id="CPD-189-atom22" elementType="O" x2="727410.0" y2="-173680.0"/> <atom id="CPD-189-atom23" elementType="O" x2="955150.0" y2="-197480.0"/> <atom id="CPD-189-atom24" elementType="O" x2="358100.0" y2="-314370.0"/> <atom id="CPD-189-atom25" elementType="O" x2="561980.0" y2="-173680.0"/> <atom id="CPD-189-atom26" elementType="C" x2="204900.0" y2="-41380.…

biopax-level3ChemicalStructure157953
structure data: <cml> <molecule id="PROT-CYS" title="a [protein]-L-cysteine" formalCharge="0" dictRef="dictPROT-CYS"> <atomArray> <atom id="PROT-CYS-atom1" elementType="C" x2="-1050.0" y2="-15800.0"/> <atom id="PROT-CYS-atom2" elementType="C" x2="-72140.0" y2="24220.0"/> <atom id="PROT-CYS-atom3" elementType="C" x2="72140.0" y2="24220.0"/> <atom id="PROT-CYS-atom4" elementType="N" x2="-1050.0" y2="-99000.0"/> <atom id="PROT-CYS-atom5" elementType="O" x2="-72140.0" y2="106720.0"/> <atom id="PROT-CYS-atom6" elementType="S" x2="130470.0" y2="-34110.0"/> <atom id="PROT-CYS-atom7" elementType="Protein" x2="57290.0" y2="-157330.0"/> <atom id="PROT-CYS-atom8" elementType="Protein" x2="-143580.0" y2="-17030.0"/> </atomArray> <bondArray> <bond id="PROT-CYS-bond1" atomRefs="PROT-CYS-atom1 PROT-CYS-atom4" order="1"/> <bond id="PROT-CYS-bond2" atomRefs="PROT-CYS-atom2 PROT-CYS-atom1" order="1"/> <bond id="PROT-CYS-bond3" atomRefs="PROT-CYS-atom3 PROT-CYS-atom1" order="1"/> <bond id="PROT-CYS-bond4" atomRefs="PROT-CYS-atom2 PROT-CYS-atom5" order="2"/> <bond id="PROT-CYS-bond5" atomRefs="PROT-CYS-atom3 PROT-CYS-atom6" order="1"/> <bond id="PROT-CYS-bond6" atomRefs="PROT-CYS-atom4 PROT-CYS-atom7" order="1"/> <bond id="PROT-CYS-bond7" atomRefs="PROT-CYS-atom2 PROT-CYS-atom8" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([Protein])(=O)C(CS)N[Protein]</string> </molecule> </cml>

CHEBI CHEBI:17750
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-6%282%2C3%294-5%287%298%2Fh4H2%2C1-3H3

CHEBI CHEBI:16870
structure data: InChI%3D1S%2FC8H20NO6P%2Fc1-9%282%2C3%294-5-14-16%2812%2C13%2915-7-8%2811%296-10%2Fh8%2C10-11H%2C4-7H2%2C1-3H3%2Fp%2B1%2Ft8-%2Fm1%2Fs1

CHEBI CHEBI:50118
structure data: InChI%3D1S%2FC20H20O5%2Fc1-11%282%293-4-12-7-14-17%289-16%2812%2922%2924-10-20%2823%2915-6-5-13%2821%298-18%2815%2925-19%2814%2920%2Fh3%2C5-9%2C19%2C21-23H%2C4%2C10H2%2C1-2H3%2Ft19-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:63992
structure data: InChI%3D1S%2FC20H30O5%2Fc1-2-3-8-12-17%2821%2913-9-6-4-5-7-10-14-18%2822%2919%2823%2915-11-16-20%2824%2925%2Fh4-7%2C9-10%2C13-14%2C18-19%2C22-23H%2C2-3%2C8%2C11-12%2C15-16H2%2C1H3%2C%28H%2C24%2C25%29%2Fb6-4-%2C7-5%2B%2C13-9%2B%2C14-10%2B%2Ft18-%2C19%2B%2Fm1%2Fs1

CHEBI CHEBI:15429
structure data: InChI%3D1S%2FH3NO%2Fc1-2%2Fh2H%2C1H2

CHEBI CHEBI:2618
structure data: InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2

biopax-level3ChemicalStructure139593
structure data: <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom1" elementType="O" x2="6594.0" y2="-3285.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom2" elementType="O" x2="6144.0" y2="-1423.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom3" elementType="O" x2="4365.0" y2="-6600.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom4" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom5" elementType="O" x2="1490.0" y2="-4918.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom6" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom7" elementType="O" x2="6598.0" y2="-4935.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom8" elementType="O" x2="7444.0" y2="-4120.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom9" elementType="O" x2="6954.0" y2="-2861.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom10" elementType="O" x2="7292.0" y2="-1784.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom11" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom12" elementType="O" x2="3540.0" y2="-5775.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom13" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom14" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom15" elementType="O" x2="2563.0" y2="-5269.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom16" elementType="O" x2="1834.0" y2="-3789.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom17" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom18" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="5-DIPHOSPHO-1D-MYO-INOSITOL-12346P-atom19" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="5…

biopax-level3ChemicalStructure168841
structure data: <atom id="PQQ-atom1" elementType="O" x2="-349.0" y2="-1661.0"/> <atom id="PQQ-atom2" elementType="O" x2="2526.0" y2="-4143.0"/> <atom id="PQQ-atom3" elementType="O" x2="5461.0" y2="-4509.0"/> <atom id="PQQ-atom4" elementType="O" x2="4675.0" y2="-1253.0"/> <atom id="PQQ-atom5" elementType="O" x2="3252.0" y2="-418.0"/> <atom id="PQQ-atom6" elementType="O" x2="365.0" y2="-424.0" formalCharge="-1"/> <atom id="PQQ-atom7" elementType="O" x2="1099.0" y2="-4150.0" formalCharge="-1"/> <atom id="PQQ-atom8" elementType="O" x2="4220.0" y2="-5214.0" formalCharge="-1"/> <atom id="PQQ-atom9" elementType="C" x2="1080.0" y2="-2499.0"/> <atom id="PQQ-atom10" elementType="C" x2="4572.0" y2="-3044.0"/> <atom id="PQQ-atom11" elementType="N" x2="1802.0" y2="-1244.0"/> <atom id="PQQ-atom12" elementType="C" x2="363.0" y2="-1247.0"/> <atom id="PQQ-atom13" elementType="C" x2="1811.0" y2="-3738.0"/> <atom id="PQQ-atom14" elementType="C" x2="4638.0" y2="-4506.0"/> <atom id="PQQ-atom15" elementType="C" x2="1074.0" y2="-1658.0"/> <atom id="PQQ-atom16" elementType="C" x2="1808.0" y2="-2915.0"/> <atom id="PQQ-atom17" elementType="C" x2="4232.0" y2="-3791.0"/> <atom id="PQQ-atom18" elementType="C" x2="3962.0" y2="-1661.0"/> <atom id="PQQ-atom19" elementType="C" x2="3250.0" y2="-1241.0"/> <atom id="PQQ-atom20" elementType="C" x2="3962.0" y2="-2492.0"/> <atom id="PQQ-atom21" elementType="C" x2="2528.0" y2="-1661.0"/> <atom id="PQQ-atom22" elementType="C" x2="2528.0" y2="-2492.0"/> <atom id="PQQ-atom23" elementType="C" x2="3250.0" y2="-2903.0"/> <atom id="PQQ-atom24" elementType="N" x2="3425.0" y2="-3704.0"/> <bond id="PQQ-bond1" atomRefs="PQQ-atom24 PQQ-atom23" order="1"/> <bond id="PQQ-bond2" atomRefs="PQQ-atom22 PQQ-atom23" order="1"/> <bond id="PQQ-bond3" atomRefs="PQQ-atom22 PQQ-atom21" order="2"/> <bond id="PQQ-bond4" atomRefs="PQQ-atom23 PQQ-atom20" order="2"/> <bond id="PQQ-bond5" atomRefs="PQQ-atom19 PQQ-atom21" order="1"/> <bond id="PQQ-bond6" atomRefs="PQQ-atom18 PQQ-atom20" order="1"/> <bo…

CHEBI CHEBI:3112
structure data: InChI%3D1S%2FC21H29NO%2Fc23-21%2819-7-3-1-4-8-19%2C11-14-22-12-5-2-6-13-22%2920-16-17-9-10-18%2820%2915-17%2Fh1%2C3-4%2C7-10%2C17-18%2C20%2C23H%2C2%2C5-6%2C11-16H2

CHEBI CHEBI:4659
structure data: InChI%3D1S%2FC10H20N2S4%2Fc1-5-11%286-2%299%2813%2915-16-10%2814%2912%287-3%298-4%2Fh5-8H2%2C1-4H3

CHEBI CHEBI:2247
structure data: InChI%3D1S%2FC9H20N2O2%2Fc1-7%2810%298%2811%295-3-2-4-6-9%2812%2913%2Fh7-8H%2C2-6%2C10-11H2%2C1H3%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure171146
structure data: <cml> <molecule id="Thyroglobulin-L-thyroxines" title="[thyroglobulin]-L-thyroxine" formalCharge="0" dictRef="dictThyroglobulin-L-thyroxines"> <atomArray> <atom id="Thyroglobulin-L-thyroxines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-thyroxines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-thyroxines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-thyroxines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-thyroxines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-L-thyroxines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-L-thyroxines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-thyroxines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-L-thyroxines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-L-thyroxines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-L-thyroxines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-thyroxines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-L-thyroxines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-thyroxines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-L-thyroxines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-L-thyroxines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-L-thyroxines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> <atom id="Thyroglobulin-L-thyroxines-atom18" elementType="I" x2="17454.0" y2="-22686.0"/> <atom id="Thyroglobulin-L-thyroxines-atom19" elementType="I" x2="3165.0" y2="2063.0"/> <atom id="Thyroglobulin-L-thyroxines-atom20" elementType="C" x2="24647.0" y2="-2147.0"/> <atom id="Thyroglobulin-L-thyroxines-atom21"…

CHEBI CHEBI:27689
structure data: InChI%3D1S%2FC10H20O2%2Fc1-2-3-4-5-6-7-8-9-10%2811%2912%2Fh2-9H2%2C1H3%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:57603
structure data: InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2%2Fp%2B1

CHEBI CHEBI:19984
structure data: InChI%3D1S%2FC7H5ClO2%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:61594
structure data: InChI%3D1S%2FC43H83NO8%2Fc1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-39%2847%2944-36%2835-51-43-42%2850%2941%2849%2940%2848%2938%2834-45%2952-43%2937%2846%2932-30-28-26-24-22-20-16-14-12-10-8-6-4-2%2Fh30%2C32%2C36-38%2C40-43%2C45-46%2C48-50H%2C3-29%2C31%2C33-35H2%2C1-2H3%2C%28H%2C44%2C47%29%2Fb32-30%2B%2Ft36-%2C37%2B%2C38%2B%2C40-%2C41-%2C42%2B%2C43%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure135656
structure data: <cml> <molecule id="DERMATAN-L-IDURONATE" title="[dermatan]-alpha-L-iduronate" formalCharge="-1" dictRef="dictDERMATAN-L-IDURONATE"> <atomArray> <atom id="DERMATAN-L-IDURONATE-atom1" elementType="O" x2="518.0" y2="-725.0"/> <atom id="DERMATAN-L-IDURONATE-atom2" elementType="O" x2="446.0" y2="-602.0" formalCharge="-1"/> <atom id="DERMATAN-L-IDURONATE-atom3" elementType="O" x2="805.0" y2="-478.0"/> <atom id="DERMATAN-L-IDURONATE-atom4" elementType="O" x2="805.0" y2="-643.0"/> <atom id="DERMATAN-L-IDURONATE-atom5" elementType="C" x2="589.0" y2="-519.0"/> <atom id="DERMATAN-L-IDURONATE-atom6" elementType="O" x2="661.0" y2="-394.0"/> <atom id="DERMATAN-L-IDURONATE-atom7" elementType="C" x2="518.0" y2="-643.0"/> <atom id="DERMATAN-L-IDURONATE-atom8" elementType="C" x2="732.0" y2="-519.0"/> <atom id="DERMATAN-L-IDURONATE-atom9" elementType="C" x2="732.0" y2="-602.0"/> <atom id="DERMATAN-L-IDURONATE-atom10" elementType="C" x2="661.0" y2="-478.0"/> <atom id="DERMATAN-L-IDURONATE-atom11" elementType="C" x2="589.0" y2="-602.0"/> <atom id="DERMATAN-L-IDURONATE-atom12" elementType="O" x2="661.0" y2="-643.0"/> <atom id="DERMATAN-L-IDURONATE-atom13" elementType="O" x2="517.0" y2="-478.0"/> <atom id="DERMATAN-L-IDURONATE-atom14" elementType="R1" x2="805.0" y2="-726.0"/> <atom id="DERMATAN-L-IDURONATE-atom15" elementType="R2" x2="517.0" y2="-394.0"/> </atomArray> <bondArray> <bond id="DERMATAN-L-IDURONATE-bond1" atomRefs="DERMATAN-L-IDURONATE-atom11 DERMATAN-L-IDURONATE-atom12" order="1"/> <bond id="DERMATAN-L-IDURONATE-bond2" atomRefs="DERMATAN-L-IDURONATE-atom9 DERMATAN-L-IDURONATE-atom12" order="1"/> <bond id="DERMATAN-L-IDURONATE-bond3" atomRefs="DERMATAN-L-IDURONATE-atom8 DERMATAN-L-IDURONATE-atom10" order="1"/> <bond id="DERMATAN-L-IDURONATE-bond4" atomRefs="DERMATAN-L-IDURONATE-atom8 DERMATAN-L-IDURONATE-atom9" order="1"/> <bond id="DERMATAN-L-IDURONATE-bond5" atomRefs="DERMATAN-L-IDURONATE-atom11 DERMATAN-L-IDURONATE-atom7" order="1"/> <bond id="DERMATAN-L-IDURONATE-bond6" a…

CHEBI CHEBI:36438
structure data: InChI%3D1S%2FC18H28O3%2Fc1-2-3-10-13-16-17%2821-16%2914-11-8-6-4-5-7-9-12-15-18%2819%2920%2Fh3%2C8%2C10-11%2C14%2C16H%2C2%2C4-7%2C9%2C12-13%2C15H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb10-3-%2C11-8-%2C17-14%3F%2Ft16-%2Fm0%2Fs1

CHEBI CHEBI:17411
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-4%2812%299-5%282-10%297%2814%298%2815%296%2813%293-11%2Fh2%2C5-8%2C11%2C13-15H%2C3H2%2C1H3%2C%28H%2C9%2C12%29%2Ft5-%2C6%2B%2C7%2B%2C8%2B%2Fm0%2Fs1

CHEBI CHEBI:28885
structure data: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

CHEBI CHEBI:17245
structure data: InChI%3D1S%2FCO%2Fc1-2

biopax-level3ChemicalStructure158653
structure data: <cml> <molecule id="1-ALKYL-GLYCERONE-3-PHOSPHATE" title="1-alkyl-glycerone 3-phosphate" formalCharge="-2"> <atomArray> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom1" elementType="O" x2="825.0" y2="-2095.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom2" elementType="O" x2="2364.0" y2="-839.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom3" elementType="O" x2="1547.0" y2="0.0" formalCharge="-1"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom4" elementType="O" x2="1544.0" y2="-1650.0" formalCharge="-1"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom5" elementType="R" x2="1429.0" y2="-2920.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom6" elementType="C" x2="0.0" y2="-2920.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom7" elementType="C" x2="0.0" y2="-1270.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom8" elementType="O" x2="714.0" y2="-3332.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom9" elementType="O" x2="714.0" y2="-857.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom10" elementType="C" x2="0.0" y2="-2095.0"/> <atom id="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom11" elementType="P" x2="1539.0" y2="-825.0"/> </atomArray> <bondArray> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond1" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom9 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom11" order="1"/> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond2" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom7 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom10" order="1"/> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond3" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom7 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom9" order="1"/> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond4" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom6 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom10" order="1"/> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond5" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom6 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom8" order="1"/> <bond id="1-ALKYL-GLYCERONE-3-PHOSPHATE-bond6" atomRefs="1-ALKYL-GLYCERONE-3-PHOSPHATE-atom5 1-ALKYL-GLYCERONE-3-PHOSPHATE-atom8" ord…

CHEBI CHEBI:58225
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-3-2%281-14-16%2811%2C12%2913%2915-6%2810%295%289%294%283%298%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5-%2C6%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure160140
structure data: <atom id="CPD-171-atom1" elementType="C" x2="37374.0" y2="0.0"/> <atom id="CPD-171-atom2" elementType="C" x2="38088.0" y2="-1238.0"/> <atom id="CPD-171-atom3" elementType="C" x2="36659.0" y2="-3712.0"/> <atom id="CPD-171-atom4" elementType="C" x2="35230.0" y2="-6188.0"/> <atom id="CPD-171-atom5" elementType="C" x2="33801.0" y2="-8662.0"/> <atom id="CPD-171-atom6" elementType="C" x2="31658.0" y2="-9900.0"/> <atom id="CPD-171-atom7" elementType="C" x2="29514.0" y2="-11138.0"/> <atom id="CPD-171-atom8" elementType="C" x2="27371.0" y2="-12375.0"/> <atom id="CPD-171-atom9" elementType="C" x2="25227.0" y2="-13612.0"/> <atom id="CPD-171-atom10" elementType="C" x2="23084.0" y2="-14850.0"/> <atom id="CPD-171-atom11" elementType="C" x2="20941.0" y2="-16088.0"/> <atom id="CPD-171-atom12" elementType="C" x2="18797.0" y2="-17325.0"/> <atom id="CPD-171-atom13" elementType="C" x2="16654.0" y2="-18562.0"/> <atom id="CPD-171-atom14" elementType="C" x2="14510.0" y2="-19800.0"/> <atom id="CPD-171-atom15" elementType="C" x2="12367.0" y2="-21038.0"/> <atom id="CPD-171-atom16" elementType="C" x2="10224.0" y2="-22275.0"/> <atom id="CPD-171-atom17" elementType="C" x2="6651.0" y2="-21038.0"/> <atom id="CPD-171-atom18" elementType="O" x2="3683.0" y2="-23100.0"/> <atom id="CPD-171-atom19" elementType="O" x2="0.0" y2="-23100.0"/> <atom id="CPD-171-atom20" elementType="O" x2="1429.0" y2="-19800.0"/> <atom id="CPD-171-atom21" elementType="O" x2="0.0" y2="-20625.0"/> <atom id="CPD-171-atom22" elementType="O" x2="2857.0" y2="-20625.0"/> <atom id="CPD-171-atom23" elementType="O" x2="3683.0" y2="-21450.0" formalCharge="-1"/> <atom id="CPD-171-atom24" elementType="C" x2="36659.0" y2="-1238.0"/> <atom id="CPD-171-atom25" elementType="C" x2="35230.0" y2="-3712.0"/> <atom id="CPD-171-atom26" elementType="C" x2="33801.0" y2="-6188.0"/> <atom id="CPD-171-atom27" elementType="C" x2="32372.0" y2="-8662.0"/> <atom id="CPD-171-atom28" elementType="C" x2="30228.0" y2="-9900.0"/> <atom id="CPD-171-atom29" eleme…

CHEBI CHEBI:36814
structure data: InChI%3D1S%2FC12H16O2%2Fc1-14-10-6-5-9-12%2813%2911-7-3-2-4-8-11%2Fh2-4%2C7-8H%2C5-6%2C9-10H2%2C1H3

biopax-level3ChemicalStructure174650
structure data: <atom id="DEOXYINOSINE-atom1" elementType="O" x2="-8153.0" y2="-8740.0"/> <atom id="DEOXYINOSINE-atom2" elementType="N" x2="-1376.0" y2="17974.0"/> <atom id="DEOXYINOSINE-atom3" elementType="C" x2="-15225.0" y2="19053.0"/> <atom id="DEOXYINOSINE-atom4" elementType="N" x2="-1573.0" y2="2946.0"/> <atom id="DEOXYINOSINE-atom5" elementType="C" x2="-1573.0" y2="-13750.0"/> <atom id="DEOXYINOSINE-atom6" elementType="C" x2="-17680.0" y2="-4224.0"/> <atom id="DEOXYINOSINE-atom7" elementType="C" x2="-8544.0" y2="7170.0"/> <atom id="DEOXYINOSINE-atom8" elementType="O" x2="-15225.0" y2="27206.0"/> <atom id="DEOXYINOSINE-atom9" elementType="C" x2="-3831.0" y2="-22294.0"/> <atom id="DEOXYINOSINE-atom10" elementType="N" x2="-15323.0" y2="2946.0"/> <atom id="DEOXYINOSINE-atom11" elementType="C" x2="-14930.0" y2="-13554.0"/> <atom id="DEOXYINOSINE-atom12" elementType="O" x2="-12374.0" y2="-27304.0"/> <atom id="DEOXYINOSINE-atom13" elementType="N" x2="-22196.0" y2="15323.0"/> <atom id="DEOXYINOSINE-atom14" elementType="C" x2="-8544.0" y2="15028.0"/> <atom id="DEOXYINOSINE-atom15" elementType="C" x2="-22196.0" y2="7072.0"/> <atom id="DEOXYINOSINE-atom16" elementType="O" x2="-25928.0" y2="-4224.0"/> <atom id="DEOXYINOSINE-atom17" elementType="C" x2="-12374.0" y2="-22294.0"/> <atom id="DEOXYINOSINE-atom18" elementType="C" x2="4126.0" y2="10215.0"/> <bond id="DEOXYINOSINE-bond1" atomRefs="DEOXYINOSINE-atom18 DEOXYINOSINE-atom2" order="2"/> <bond id="DEOXYINOSINE-bond2" atomRefs="DEOXYINOSINE-atom17 DEOXYINOSINE-atom9" order="1"/> <bond id="DEOXYINOSINE-bond3" atomRefs="DEOXYINOSINE-atom16 DEOXYINOSINE-atom6" order="1"/> <bond id="DEOXYINOSINE-bond4" atomRefs="DEOXYINOSINE-atom15 DEOXYINOSINE-atom10" order="2"/> <bond id="DEOXYINOSINE-bond5" atomRefs="DEOXYINOSINE-atom14 DEOXYINOSINE-atom3" order="1"/> <bond id="DEOXYINOSINE-bond6" atomRefs="DEOXYINOSINE-atom14 DEOXYINOSINE-atom7" order="2"/> <bond id="DEOXYINOSINE-bond7" atomRefs="DEOXYINOSINE-atom13 DEOXYINOSINE-atom15" order="1"/> <bo…

CHEBI CHEBI:17141
structure data: InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2

CHEBI CHEBI:27931
structure data: InChI%3D1S%2FC18H32O16%2Fc19-1-4-7%2822%298%2823%2912%2827%2917%2831-4%2934-15-6%283-21%2932-18%2813%2828%2910%2815%2925%2933-14-5%282-20%2930-16%2829%2911%2826%299%2814%2924%2Fh4-29H%2C1-3H2%2Ft4-%2C5-%2C6-%2C7-%2C8%2B%2C9-%2C10-%2C11-%2C12-%2C13-%2C14-%2C15-%2C16%2B%2C17-%2C18-%2Fm1%2Fs1

biopax-level3ChemicalStructure165065
structure data: <cml> <molecule id="CPD-7250" title="peroxiredoxin-(S-hydroxy-S-oxocysteine)" formalCharge="0"> <atomArray> <atom id="CPD-7250-atom1" elementType="R" x2="-33516.0" y2="-22982.0"/> <atom id="CPD-7250-atom2" elementType="C" x2="-26371.0" y2="-18857.0"/> <atom id="CPD-7250-atom3" elementType="N" x2="-19227.0" y2="-22982.0"/> <atom id="CPD-7250-atom4" elementType="C" x2="-12082.0" y2="-18857.0"/> <atom id="CPD-7250-atom5" elementType="C" x2="-4937.0" y2="-22982.0"/> <atom id="CPD-7250-atom6" elementType="N" x2="2208.0" y2="-18857.0"/> <atom id="CPD-7250-atom7" elementType="R" x2="9352.0" y2="-22982.0"/> <atom id="CPD-7250-atom8" elementType="O" x2="-26371.0" y2="-10607.0"/> <atom id="CPD-7250-atom9" elementType="C" x2="-12082.0" y2="-10607.0"/> <atom id="CPD-7250-atom10" elementType="S" x2="-6248.0" y2="-4774.0"/> <atom id="CPD-7250-atom11" elementType="O" x2="-6248.0" y2="3476.0"/> <atom id="CPD-7250-atom12" elementType="O" x2="2002.0" y2="-4774.0"/> <atom id="CPD-7250-atom13" elementType="O" x2="-4937.0" y2="-31232.0"/> </atomArray> <bondArray> <bond id="CPD-7250-bond1" atomRefs="CPD-7250-atom1 CPD-7250-atom2" order="1"/> <bond id="CPD-7250-bond2" atomRefs="CPD-7250-atom2 CPD-7250-atom3" order="1"/> <bond id="CPD-7250-bond3" atomRefs="CPD-7250-atom3 CPD-7250-atom4" order="1"/> <bond id="CPD-7250-bond4" atomRefs="CPD-7250-atom4 CPD-7250-atom5" order="1"/> <bond id="CPD-7250-bond5" atomRefs="CPD-7250-atom5 CPD-7250-atom6" order="1"/> <bond id="CPD-7250-bond6" atomRefs="CPD-7250-atom6 CPD-7250-atom7" order="1"/> <bond id="CPD-7250-bond7" atomRefs="CPD-7250-atom2 CPD-7250-atom8" order="2"/> <bond id="CPD-7250-bond8" atomRefs="CPD-7250-atom9 CPD-7250-atom4" order="1"/> <bond id="CPD-7250-bond9" atomRefs="CPD-7250-atom9 CPD-7250-atom10" order="1"/> <bond id="CPD-7250-bond10" atomRefs="CPD-7250-atom10 CPD-7250-atom11" order="1"/> <bond id="CPD-7250-bond11" atomRefs="CPD-7250-atom10 CPD-7250-atom12" order="2"/> <bond id="CPD-7250-bond12" atomRefs="CPD-7250-atom5 CPD-7250-atom…

biopax-level3ChemicalStructure167725
structure data: <atom id="CPD-4523-atom1" elementType="C" x2="62932.0" y2="38738.0"/> <atom id="CPD-4523-atom2" elementType="C" x2="62932.0" y2="24449.0"/> <atom id="CPD-4523-atom3" elementType="C" x2="45358.0" y2="3129.0"/> <atom id="CPD-4523-atom4" elementType="C" x2="34722.0" y2="12673.0"/> <atom id="CPD-4523-atom5" elementType="C" x2="71182.0" y2="38738.0"/> <atom id="CPD-4523-atom6" elementType="C" x2="71182.0" y2="24449.0"/> <atom id="CPD-4523-atom7" elementType="C" x2="39848.0" y2="-3011.0"/> <atom id="CPD-4523-atom8" elementType="C" x2="29212.0" y2="6532.0"/> <atom id="CPD-4523-atom9" elementType="C" x2="23645.0" y2="27468.0"/> <atom id="CPD-4523-atom10" elementType="C" x2="30791.0" y2="23343.0"/> <atom id="CPD-4523-atom11" elementType="C" x2="30791.0" y2="39843.0"/> <atom id="CPD-4523-atom12" elementType="C" x2="31007.0" y2="-44959.0"/> <atom id="CPD-4523-atom13" elementType="C" x2="36517.0" y2="-38818.0"/> <atom id="CPD-4523-atom14" elementType="C" x2="22935.0" y2="-43257.0"/> <atom id="CPD-4523-atom15" elementType="C" x2="33954.0" y2="-30976.0"/> <atom id="CPD-4523-atom16" elementType="C" x2="20371.0" y2="-35416.0"/> <atom id="CPD-4523-atom17" elementType="C" x2="23318.0" y2="-21433.0"/> <atom id="CPD-4523-atom18" elementType="C" x2="28828.0" y2="-15293.0"/> <atom id="CPD-4523-atom19" elementType="C" x2="58806.0" y2="31593.0"/> <atom id="CPD-4523-atom20" elementType="C" x2="42795.0" y2="10972.0"/> <atom id="CPD-4523-atom21" elementType="C" x2="75307.0" y2="31593.0"/> <atom id="CPD-4523-atom22" elementType="C" x2="31775.0" y2="-1309.0"/> <atom id="CPD-4523-atom23" elementType="C" x2="23645.0" y2="35718.0"/> <atom id="CPD-4523-atom24" elementType="C" x2="37935.0" y2="27468.0"/> <atom id="CPD-4523-atom25" elementType="C" x2="37935.0" y2="35718.0"/> <atom id="CPD-4523-atom26" elementType="C" x2="45742.0" y2="24954.0"/> <atom id="CPD-4523-atom27" elementType="C" x2="50556.0" y2="31593.0"/> <atom id="CPD-4523-atom28" elementType="C" x2="48305.0" y2="17113.0"/> <atom id="CPD-45…

CHEBI CHEBI:30830
structure data: InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)

CHEBI CHEBI:32023
structure data: InChI%3D1S%2FC20H34O2%2Fc1-17%282%298-5-9-18%283%2910-6-12-20%2816-22%2913-7-11-19%284%2914-15-21%2Fh8%2C10%2C13-14%2C21-22H%2C5-7%2C9%2C11-12%2C15-16H2%2C1-4H3%2Fb18-10%2B%2C19-14%2B%2C20-13-

CHEBI CHEBI:18314
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-2-3-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:53576
structure data: InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

CHEBI CHEBI:52360
structure data: InChI%3D1S%2FC44H84NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43%2846%2950-40-42%2841-52-54%2848%2C49%2951-39-38-45%283%2C4%295%2953-44%2847%2937-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2%2Fh20-23%2C42H%2C6-19%2C24-41H2%2C1-5H3%2Fp%2B1%2Fb22-20-%2C23-21-%2Ft42-%2Fm1%2Fs1

biopax-level3ChemicalStructure145333
structure data: <atom id="CPD1G-774-atom1" elementType="C" x2="174112.0" y2="-17382.0"/> <atom id="CPD1G-774-atom2" elementType="C" x2="181256.0" y2="-21507.0"/> <atom id="CPD1G-774-atom3" elementType="C" x2="188399.0" y2="-17382.0"/> <atom id="CPD1G-774-atom4" elementType="C" x2="195544.0" y2="-21507.0"/> <atom id="CPD1G-774-atom5" elementType="C" x2="202689.0" y2="-17382.0"/> <atom id="CPD1G-774-atom6" elementType="C" x2="209833.0" y2="-21507.0"/> <atom id="CPD1G-774-atom7" elementType="C" x2="216978.0" y2="-17382.0"/> <atom id="CPD1G-774-atom8" elementType="C" x2="224121.0" y2="-21507.0"/> <atom id="CPD1G-774-atom9" elementType="C" x2="231265.0" y2="-17382.0"/> <atom id="CPD1G-774-atom10" elementType="C" x2="238410.0" y2="-21507.0"/> <atom id="CPD1G-774-atom11" elementType="C" x2="245555.0" y2="-17382.0"/> <atom id="CPD1G-774-atom12" elementType="C" x2="252700.0" y2="-21507.0"/> <atom id="CPD1G-774-atom13" elementType="C" x2="259842.0" y2="-17382.0"/> <atom id="CPD1G-774-atom14" elementType="C" x2="266987.0" y2="-21507.0"/> <atom id="CPD1G-774-atom15" elementType="C" x2="274132.0" y2="-17382.0"/> <atom id="CPD1G-774-atom16" elementType="C" x2="281276.0" y2="-21507.0"/> <atom id="CPD1G-774-atom17" elementType="O" x2="281276.0" y2="-29757.0"/> <atom id="CPD1G-774-atom18" elementType="O" x2="288419.0" y2="-17382.0"/> <atom id="CPD1G-774-atom19" elementType="O" x2="306705.0" y2="-21212.0"/> <atom id="CPD1G-774-atom20" elementType="C" x2="299561.0" y2="-17087.0"/> <atom id="CPD1G-774-atom21" elementType="C" x2="299561.0" y2="-8839.0"/> <atom id="CPD1G-774-atom22" elementType="C" x2="306705.0" y2="-4714.0"/> <atom id="CPD1G-774-atom23" elementType="C" x2="313850.0" y2="-8839.0"/> <atom id="CPD1G-774-atom24" elementType="C" x2="313850.0" y2="-17087.0"/> <atom id="CPD1G-774-atom25" elementType="O" x2="306705.0" y2="3536.0"/> <atom id="CPD1G-774-atom26" elementType="O" x2="293727.0" y2="-3006.0"/> <atom id="CPD1G-774-atom27" elementType="O" x2="319683.0" y2="-3006.0"/> <atom id="CPD1G-77…

CHEBI CHEBI:42665
structure data: InChI%3D1S%2FC18H15FN4O%2Fc19-16-7-3-13%284-8-16%299-17%2824%2918%2823-12-21-11-22-23%2915-5-1-14%2810-20%292-6-15%2Fh1-8%2C11-12%2C17-18%2C24H%2C9H2%2Ft17-%2C18%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure170793
structure data: <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom1" elementType="C" x2="-7039.0" y2="-5487.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom2" elementType="C" x2="-1799.0" y2="-5880.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom3" elementType="O" x2="-7757.0" y2="-6668.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom4" elementType="C" x2="-7744.0" y2="-4122.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom5" elementType="C" x2="-4074.0" y2="-4120.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom6" elementType="C" x2="-7025.0" y2="-4548.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom7" elementType="C" x2="-7762.0" y2="-5885.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom8" elementType="C" x2="-8463.0" y2="-4594.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom9" elementType="C" x2="-4098.0" y2="-5892.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom10" elementType="C" x2="-4932.0" y2="-5912.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom11" elementType="C" x2="-6311.0" y2="-4122.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom12" elementType="O" x2="-8499.0" y2="-5447.0" formalCharge="-1"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom13" elementType="C" x2="-2650.0" y2="-4134.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom14" elementType="C" x2="-5616.0" y2="-5506.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom15" elementType="C" x2="-4918.0" y2="-4108.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom16" elementType="C" x2="-5609.0" y2="-4538.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom17" elementType="C" x2="-3397.0" y2="-5475.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom18" elementType="C" x2="-3352.0" y2="-4518.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom19" elementType="C" x2="-1358.0" y2="-5045.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom20" elementType="C" x2="-1782.0" y2="-4138.0"/> <atom id="6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6-atom21" elementType="C" x2=…

CHEBI CHEBI:29298
structure data: InChI%3D1S%2FH2%2Fh1H%2Fi1%2B2T

CHEBI CHEBI:57400
structure data: InChI%3D1S%2FC20H30O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C16-17%2C19%2C23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fp-1%2Fb7-4-%2C13-12%2B%2Ft16-%2C17-%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure166261
structure data: <atom id="CPD-7655-atom1" elementType="C" x2="-4.0269e+7" y2="1.65e+7"/> <atom id="CPD-7655-atom2" elementType="C" x2="-4.0269e+7" y2="2.4749e+7"/> <atom id="CPD-7655-atom3" elementType="C" x2="-3.3124002e+7" y2="2.8874e+7"/> <atom id="CPD-7655-atom4" elementType="C" x2="-2.5979e+7" y2="2.4749e+7"/> <atom id="CPD-7655-atom5" elementType="C" x2="-2.5979e+7" y2="1.65e+7"/> <atom id="CPD-7655-atom6" elementType="O" x2="-3.3124002e+7" y2="1.2375e+7"/> <atom id="CPD-7655-atom7" elementType="C" x2="-4.7413e+7" y2="1.2375e+7"/> <atom id="CPD-7655-atom8" elementType="O" x2="-4.7413e+7" y2="4125000.0"/> <atom id="CPD-7655-atom9" elementType="O" x2="-4.7413996e+7" y2="2.8874e+7"/> <atom id="CPD-7655-atom10" elementType="O" x2="-3.3124002e+7" y2="3.7124e+7"/> <atom id="CPD-7655-atom11" elementType="O" x2="-1.8834e+7" y2="2.8874e+7"/> <atom id="CPD-7655-atom12" elementType="O" x2="-1.8834e+7" y2="1.2375e+7"/> <atom id="CPD-7655-atom13" elementType="C" x2="-1.8835e+7" y2="4125000.0"/> <atom id="CPD-7655-atom14" elementType="C" x2="-1.1691e+7" y2="-1000.0"/> <atom id="CPD-7655-atom15" elementType="C" x2="-1.1691999e+7" y2="-8251000.0"/> <atom id="CPD-7655-atom16" elementType="C" x2="-4547000.0" y2="-1.2376e+7"/> <atom id="CPD-7655-atom17" elementType="C" x2="-4547000.0" y2="-2.0625e+7"/> <atom id="CPD-7655-atom18" elementType="C" x2="2598000.0" y2="-2.475e+7"/> <atom id="CPD-7655-atom19" elementType="C" x2="2598000.0" y2="-3.3e+7"/> <atom id="CPD-7655-atom20" elementType="C" x2="9743000.0" y2="-3.7125e+7"/> <bond id="CPD-7655-bond1" atomRefs="CPD-7655-atom19 CPD-7655-atom20" order="1"/> <bond id="CPD-7655-bond2" atomRefs="CPD-7655-atom18 CPD-7655-atom19" order="1"/> <bond id="CPD-7655-bond3" atomRefs="CPD-7655-atom17 CPD-7655-atom18" order="1"/> <bond id="CPD-7655-bond4" atomRefs="CPD-7655-atom16 CPD-7655-atom17" order="1"/> <bond id="CPD-7655-bond5" atomRefs="CPD-7655-atom9 CPD-7655-atom2" order="1"/> <bond id="CPD-7655-bond6" atomRefs="CPD-7655-atom11 CPD-7655-atom4" order="1"/…

biopax-level3ChemicalStructure160073
structure data: <atom id="CPD-5170-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5170-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5170-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5170-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5170-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5170-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5170-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5170-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5170-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5170-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5170-atom11" elementType="C" x2="-70160.0" y2="-363740.0"/> <atom id="CPD-5170-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5170-atom13" elementType="C" x2="1280.0" y2="-404990.0"/> <atom id="CPD-5170-atom14" elementType="C" x2="-141610.0" y2="-404990.0"/> <atom id="CPD-5170-atom15" elementType="C" x2="-427390.0" y2="-734990.0"/> <atom id="CPD-5170-atom16" elementType="C" x2="-355940.0" y2="-776240.0"/> <atom id="CPD-5170-atom17" elementType="C" x2="-498840.0" y2="-776240.0"/> <atom id="CPD-5170-atom18" elementType="C" x2="-427390.0" y2="-652490.0"/> <atom id="CPD-5170-atom19" elementType="C" x2="-213060.0" y2="-528740.0"/> <atom id="CPD-5170-atom20" elementType="C" x2="-141610.0" y2="-487490.0"/> <atom id="CPD-5170-atom21" elementType="C" x2="-213060.0" y2="-611240.0"/> <atom id="CPD-5170-atom22" elementType="C" x2="-141610.0" y2="-652490.0"/> <atom id="CPD-5170-atom23" elementType="C" x2="-284500.0" y2="-652490.0"/> <atom id="CPD-5170-atom24" elementType="C" x2="-355940.0" y2="-611240.0"/> <atom id="CPD-5170-atom25" elementType="C" x2="-641730.0" y2="-776240.0"/> <atom id="CPD-5170-atom26" elementType="C" x2="-570280.0" y2="-734990.0"/> <atom id="CPD-5170-atom27" elementType="C" x2="-641730.0" y2="-858740.0"/> <atom id="CPD-5…

CHEBI CHEBI:59354
structure data: InChI%3D1S%2FC10H8O4%2Fc11-8-4-2-1-3-7%288%295-6-9%2812%2910%2813%2914%2Fh1-6%2C11H%2C%28H%2C13%2C14%29%2Fb6-5%2B

CHEBI CHEBI:53153
structure data: InChI%3D1S%2FC27H36O%2Fc1-22%2812-7-8-13-23%282%2916-11-21-28%2914-9-15-24%283%2918-19-26-25%284%2917-10-20-27%2826%2C5%296%2Fh7-9%2C11-16%2C18-19%2C21H%2C10%2C17%2C20H2%2C1-6H3%2Fb8-7%2B%2C14-9%2B%2C16-11%2B%2C19-18%2B%2C22-12%2B%2C23-13%2B%2C24-15%2B

CHEBI CHEBI:61043
structure data: InChI%3D1S%2FC19H36NO9P%2Fc1-5-6-7-10-18%2822%2926-15-17%2829-19%2823%2911-8-9-13-21%2916-28-30%2824%2C25%2927-14-12-20%282%2C3%294%2Fh13%2C17H%2C5-12%2C14-16H2%2C1-4H3%2Fp%2B1%2Ft17-%2Fm1%2Fs1

CHEBI CHEBI:114785
structure data: InChI%3D1S%2FC22H23N3O4%2Fc1-4-16-6-5-7-17%2812-16%2925-22-18-13-20%2828-10-8-26-2%2921%2829-11-9-27-3%2914-19%2818%2923-15-24-22%2Fh1%2C5-7%2C12-15H%2C8-11H2%2C2-3H3%2C%28H%2C23%2C24%2C25%29

CHEBI CHEBI:15843
structure data: InChI%3D1S%2FC20H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh6-7%2C9-10%2C12-13%2C15-16H%2C2-5%2C8%2C11%2C14%2C17-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-

CHEBI CHEBI:61673
structure data: InChI%3D1S%2FC18H30O2%2Fc19-18%2820%2916-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17%2Fh2%2C4%2C11%2C14%2C17H%2C1%2C3%2C5-10%2C12-13%2C15-16H2%2C%28H%2C19%2C20%29

CHEBI CHEBI:10213
structure data: InChI%3D1S%2FC30H50O%2Fc1-19-11-14-27%285%2917-18-29%287%2921%2825%2827%2920%2819%292%299-10-23-28%286%2915-13-24%2831%2926%283%2C4%2922%2828%2912-16-30%2823%2C29%298%2Fh9%2C19-20%2C22-25%2C31H%2C10-18H2%2C1-8H3%2Ft19-%2C20%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C27-%2C28%2B%2C29-%2C30-%2Fm1%2Fs1

CHEBI CHEBI:28497
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-3%2811%299-5-7%2813%296%2812%294%282-10%2915-8%285%2914%2Fh4-8%2C10%2C12-14H%2C2H2%2C1H3%2C%28H%2C9%2C11%29%2Ft4-%2C5-%2C6%2B%2C7-%2C8-%2Fm1%2Fs1

CHEBI CHEBI:4638
structure data: InChI%3D1S%2FC21H27NO%2Fc23-21%2819-11-4-1-5-12-19%2C20-13-6-2-7-14-20%2915-10-18-22-16-8-3-9-17-22%2Fh1-2%2C4-7%2C11-14%2C23H%2C3%2C8-10%2C15-18H2

biopax-level3ChemicalStructure173827
structure data: <atom id="CPD-3482-atom1" elementType="C" x2="3571.0" y2="-412.0"/> <atom id="CPD-3482-atom2" elementType="C" x2="5715.0" y2="-825.0"/> <atom id="CPD-3482-atom3" elementType="C" x2="5000.0" y2="-412.0"/> <atom id="CPD-3482-atom4" elementType="C" x2="5715.0" y2="-1650.0"/> <atom id="CPD-3482-atom5" elementType="O" x2="2857.0" y2="-2474.0"/> <atom id="CPD-3482-atom6" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-3482-atom7" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-3482-atom8" elementType="C" x2="2142.0" y2="-412.0"/> <atom id="CPD-3482-atom9" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-3482-atom10" elementType="N" x2="4286.0" y2="-1650.0" formalCharge="1"/> <atom id="CPD-3482-atom11" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-3482-atom12" elementType="C" x2="2142.0" y2="-1238.0"/> <atom id="CPD-3482-atom13" elementType="C" x2="3571.0" y2="-1238.0"/> <atom id="CPD-3482-atom14" elementType="C" x2="2857.0" y2="-1650.0"/> <atom id="CPD-3482-atom15" elementType="C" x2="5000.0" y2="-1238.0"/> <atom id="CPD-3482-atom16" elementType="CL" x2="1429.0" y2="825.0"/> <bond id="CPD-3482-bond1" atomRefs="CPD-3482-atom13 CPD-3482-atom14" order="1"/> <bond id="CPD-3482-bond2" atomRefs="CPD-3482-atom12 CPD-3482-atom14" order="1"/> <bond id="CPD-3482-bond3" atomRefs="CPD-3482-atom10 CPD-3482-atom15" order="1"/> <bond id="CPD-3482-bond4" atomRefs="CPD-3482-atom10 CPD-3482-atom13" order="1"/> <bond id="CPD-3482-bond5" atomRefs="CPD-3482-atom12 CPD-3482-atom9" order="2"/> <bond id="CPD-3482-bond6" atomRefs="CPD-3482-atom9 CPD-3482-atom11" order="1"/> <bond id="CPD-3482-bond7" atomRefs="CPD-3482-atom8 CPD-3482-atom12" order="1"/> <bond id="CPD-3482-bond8" atomRefs="CPD-3482-atom11 CPD-3482-atom7" order="2"/> <bond id="CPD-3482-bond9" atomRefs="CPD-3482-atom6 CPD-3482-atom8" order="2"/> <bond id="CPD-3482-bond10" atomRefs="CPD-3482-atom7 CPD-3482-atom6" order="1"/> <bond id="CPD-3482-bond11" atomRefs="CPD-3482-atom14 CPD-3482-atom5" order="1"/> …

biopax-level3ChemicalStructure160377
structure data: <atom id="CPD-11401-atom1" elementType="C" x2="-6482.0" y2="-27402.0"/> <atom id="CPD-11401-atom2" elementType="C" x2="-13627.0" y2="-23277.0"/> <atom id="CPD-11401-atom3" elementType="C" x2="-13627.0" y2="-15027.0"/> <atom id="CPD-11401-atom4" elementType="C" x2="-6482.0" y2="-10902.0"/> <atom id="CPD-11401-atom5" elementType="C" x2="663.0" y2="-15027.0"/> <atom id="CPD-11401-atom6" elementType="C" x2="663.0" y2="-23277.0"/> <atom id="CPD-11401-atom7" elementType="O" x2="-6482.0" y2="-35652.0"/> <atom id="CPD-11401-atom8" elementType="I" x2="-20772.0" y2="-27402.0"/> <atom id="CPD-11401-atom9" elementType="I" x2="7807.0" y2="-27402.0"/> <atom id="CPD-11401-atom10" elementType="O" x2="-6482.0" y2="-2652.0"/> <atom id="CPD-11401-atom11" elementType="C" x2="-6205.0" y2="5594.0"/> <atom id="CPD-11401-atom12" elementType="C" x2="-13349.0" y2="9719.0"/> <atom id="CPD-11401-atom13" elementType="C" x2="-13349.0" y2="17969.0"/> <atom id="CPD-11401-atom14" elementType="C" x2="-6205.0" y2="22094.0"/> <atom id="CPD-11401-atom15" elementType="C" x2="940.0" y2="17969.0"/> <atom id="CPD-11401-atom16" elementType="C" x2="940.0" y2="9719.0"/> <atom id="CPD-11401-atom17" elementType="I" x2="-20494.0" y2="5594.0"/> <atom id="CPD-11401-atom18" elementType="I" x2="8085.0" y2="5594.0"/> <atom id="CPD-11401-atom19" elementType="C" x2="-6205.0" y2="30344.0"/> <atom id="CPD-11401-atom20" elementType="C" x2="-6132.0" y2="37710.0"/> <atom id="CPD-11401-atom21" elementType="N" x2="2118.0" y2="37639.0"/> <atom id="CPD-11401-atom22" elementType="C" x2="-5976.0" y2="45955.0"/> <atom id="CPD-11401-atom23" elementType="O" x2="-14464.0" y2="46063.0"/> <atom id="CPD-11401-atom24" elementType="O" x2="-5999.0" y2="54201.0"/> <atom id="CPD-11401-atom25" elementType="C" x2="-5930.0" y2="62451.0"/> <atom id="CPD-11401-atom26" elementType="C" x2="-12689.0" y2="66563.0"/> <atom id="CPD-11401-atom27" elementType="C" x2="-12689.0" y2="74813.0"/> <atom id="CPD-11401-atom28" elementType="C" x2="-5545.0" y2="78…

biopax-level3ChemicalStructure131899
structure data: <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom1" elementType="O" x2="12062.0" y2="-3465.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom2" elementType="C" x2="10744.0" y2="8180.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom3" elementType="C" x2="10744.0" y2="15944.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom4" elementType="P" x2="-14211.0" y2="-4089.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom5" elementType="O" x2="-22529.0" y2="-4089.0" formalCharge="-1"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom6" elementType="C" x2="1455.0" y2="-9428.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom7" elementType="O" x2="-6725.0" y2="-4089.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom8" elementType="O" x2="5337.0" y2="-22529.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom9" elementType="O" x2="-14211.0" y2="-12339.0" formalCharge="-1"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom10" elementType="C" x2="22459.0" y2="-8180.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom11" elementType="O" x2="5130.0" y2="2219.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom12" elementType="C" x2="18230.0" y2="-17539.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom13" elementType="O" x2="-14211.0" y2="4159.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom14" elementType="N" x2="22459.0" y2="8180.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom15" elementType="N" x2="18994.0" y2="15944.0" formalCharge="1"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom16" elementType="O" x2="18230.0" y2="-22529.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom17" elementType="C" x2="1455.0" y2="-4089.0"/> <atom id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom18" elementType="C" x2="5337.0" y2="-17539.0"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond1" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom18 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom12" order="1"/> <bond id="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-bond2" atomRefs="5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom17 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE-atom6" o…

CHEBI CHEBI:17553
structure data: InChI%3D1S%2FC2H8NO4P%2Fc3-1-2-7-8%284%2C5%296%2Fh1-3H2%2C%28H2%2C4%2C5%2C6%29

biopax-level3ChemicalStructure166845
structure data: <atom id="ISOVALERYL-COA-atom1" elementType="C" x2="41391.0" y2="-12463.0"/> <atom id="ISOVALERYL-COA-atom2" elementType="O" x2="10155.0" y2="-11694.0" formalCharge="-1"/> <atom id="ISOVALERYL-COA-atom3" elementType="C" x2="38314.0" y2="-18157.0"/> <atom id="ISOVALERYL-COA-atom4" elementType="C" x2="23696.0" y2="-28005.0"/> <atom id="ISOVALERYL-COA-atom5" elementType="N" x2="28466.0" y2="770.0"/> <atom id="ISOVALERYL-COA-atom6" elementType="O" x2="-33236.0" y2="-20311.0"/> <atom id="ISOVALERYL-COA-atom7" elementType="O" x2="33852.0" y2="-46469.0" formalCharge="-1"/> <atom id="ISOVALERYL-COA-atom8" elementType="C" x2="-40160.0" y2="-4616.0"/> <atom id="ISOVALERYL-COA-atom9" elementType="O" x2="-5078.0" y2="-11694.0" formalCharge="-1"/> <atom id="ISOVALERYL-COA-atom10" elementType="C" x2="46315.0" y2="8463.0"/> <atom id="ISOVALERYL-COA-atom11" elementType="O" x2="25543.0" y2="-38160.0"/> <atom id="ISOVALERYL-COA-atom12" elementType="N" x2="21234.0" y2="12002.0"/> <atom id="ISOVALERYL-COA-atom13" elementType="O" x2="-33852.0" y2="-16618.0"/> <atom id="ISOVALERYL-COA-atom14" elementType="O" x2="33544.0" y2="-8155.0"/> <atom id="ISOVALERYL-COA-atom15" elementType="O" x2="4309.0" y2="-41545.0"/> <atom id="ISOVALERYL-COA-atom16" elementType="C" x2="10617.0" y2="-28466.0"/> <atom id="ISOVALERYL-COA-atom17" elementType="O" x2="-14618.0" y2="-3385.0"/> <atom id="ISOVALERYL-COA-atom18" elementType="C" x2="4309.0" y2="-33236.0"/> <atom id="ISOVALERYL-COA-atom19" elementType="N" x2="-46469.0" y2="-8309.0"/> <atom id="ISOVALERYL-COA-atom20" elementType="C" x2="-22004.0" y2="-8309.0"/> <atom id="ISOVALERYL-COA-atom21" elementType="O" x2="10155.0" y2="4924.0"/> <atom id="ISOVALERYL-COA-atom22" elementType="C" x2="-33236.0" y2="-28620.0"/> <atom id="ISOVALERYL-COA-atom23" elementType="C" x2="27697.0" y2="16003.0"/> <atom id="ISOVALERYL-COA-atom24" elementType="N" x2="-24465.0" y2="-32928.0"/> <atom id="ISOVALERYL-COA-atom25" elementType="C" x2="-28005.0" y2="-4616.0"/> <atom id="ISO…

biopax-level3ChemicalStructure150075
structure data: <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom1" elementType="C" x2="1302.0" y2="0.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom2" elementType="C" x2="4267.0" y2="-2175.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom3" elementType="C" x2="5363.0" y2="-2972.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom4" elementType="C" x2="2595.0" y2="-2163.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom5" elementType="O" x2="4238.0" y2="-12161.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom6" elementType="O" x2="2972.0" y2="-10034.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom7" elementType="O" x2="0.0" y2="-9288.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom8" elementType="O" x2="1215.0" y2="-11422.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom9" elementType="O" x2="1243.0" y2="-13946.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom10" elementType="O" x2="2069.0" y2="-15623.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom11" elementType="O" x2="5137.0" y2="-15040.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom12" elementType="O" x2="415.0" y2="-13123.0" formalCharge="-1"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom13" elementType="O" x2="1243.0" y2="-12296.0" formalCharge="-1"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom14" elementType="C" x2="884.0" y2="-711.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom15" elementType="C" x2="3849.0" y2="-2886.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom16" elementType="C" x2="4944.0" y2="-3683.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom17" elementType="C" x2="2172.0" y2="-2872.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom18" elementType="C" x2="1292.0" y2="-1429.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom19" elementType="C" x2="4256.0" y2="-3604.0"/> <atom id="3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN-atom20" elementType="C" x2…

CHEBI CHEBI:28867
structure data: InChI%3D1S%2FC10H19NO4%2Fc1-5-10%2814%2915-8%286-9%2812%2913%297-11%282%2C3%294%2Fh8H%2C5-7H2%2C1-4H3

CHEBI CHEBI:16716
structure data: InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H

CHEBI CHEBI:27787
structure data: InChI%3D1S%2FC40H64%2Fc1-33%282%2919-13-23-37%287%2927-17-31-39%289%2929-15-25-35%285%2921-11-12-22-36%286%2926-16-30-40%2810%2932-18-28-38%288%2924-14-20-34%283%294%2Fh11-12%2C19-22%2C27-30H%2C13-18%2C23-26%2C31-32H2%2C1-10H3%2Fb12-11-%2C35-21%2B%2C36-22%2B%2C37-27%2B%2C38-28%2B%2C39-29%2B%2C40-30%2B

CHEBI CHEBI:28689
structure data: InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14-%2C15-%2C16-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure143197
structure data: <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom1" elementType="C" x2="-124940.0" y2="-371610.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom2" elementType="C" x2="-69320.0" y2="-219260.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom3" elementType="O" x2="-266820.0" y2="-442550.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom4" elementType="C" x2="-22570.0" y2="-482850.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom5" elementType="O" x2="86250.0" y2="-194270.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom6" elementType="C" x2="-170090.0" y2="-100760.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom7" elementType="C" x2="-411910.0" y2="-393370.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom8" elementType="C" x2="124140.0" y2="-457060.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom9" elementType="O" x2="-70940.0" y2="-629560.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom10" elementType="C" x2="180570.0" y2="-317600.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom11" elementType="O" x2="-93510.0" y2="31440.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom12" elementType="O" x2="-468340.0" y2="-250700.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom13" elementType="C" x2="-510260.0" y2="-516710.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom14" elementType="O" x2="220870.0" y2="-576360.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom15" elementType="O" x2="336950.0" y2="-337750.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom16" elementType="C" x2="-193460.0" y2="148320.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom17" elementType="C" x2="-623110.0" y2="-231350.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom18" elementType="C" x2="-659390.0" y2="-496550.0"/> <atom id="6-alpha-D--1-4-alpha-D-Glucano--Glucan-atom19" elementType="O" x2="-453030.0" y2="-660190.0"/> <atom id="6-alpha-D--1-4-al…

CHEBI CHEBI:17162
structure data: InChI%3D1S%2FC18H34O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2819%2918%2820%2921%2Fh2-16H2%2C1H3%2C%28H%2C20%2C21%29%2Fp-1

CHEBI CHEBI:51211
structure data: InChI%3D1S%2FC15H23NO2%2Fc1-4-7-13-8-5-6-9-15%2813%2918-11-14%2817%2910-16-12%282%293%2Fh4-6%2C8-9%2C12%2C14%2C16-17H%2C1%2C7%2C10-11H2%2C2-3H3

CHEBI CHEBI:16330
structure data: InChI%3D1S%2FC19H30O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh12%2C14-17%2C21H%2C3-11H2%2C1-2H3%2Ft12-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure162182
structure data: <cml> <molecule id="O-Acyl-L-Carnitines" title="an O-acyl-L-carnitine" formalCharge="0" dictRef="dictO-Acyl-L-Carnitines"> <atomArray> <atom id="O-Acyl-L-Carnitines-atom1" elementType="C" x2="5561.0" y2="6050.0"/> <atom id="O-Acyl-L-Carnitines-atom2" elementType="C" x2="4847.0" y2="5638.0"/> <atom id="O-Acyl-L-Carnitines-atom3" elementType="C" x2="4132.0" y2="6050.0"/> <atom id="O-Acyl-L-Carnitines-atom4" elementType="N" x2="3418.0" y2="5638.0" formalCharge="1"/> <atom id="O-Acyl-L-Carnitines-atom5" elementType="C" x2="2704.0" y2="6050.0"/> <atom id="O-Acyl-L-Carnitines-atom6" elementType="C" x2="3418.0" y2="4813.0"/> <atom id="O-Acyl-L-Carnitines-atom7" elementType="C" x2="2704.0" y2="5226.0"/> <atom id="O-Acyl-L-Carnitines-atom8" elementType="C" x2="6276.0" y2="5638.0"/> <atom id="O-Acyl-L-Carnitines-atom9" elementType="O" x2="6990.0" y2="6050.0" formalCharge="-1"/> <atom id="O-Acyl-L-Carnitines-atom10" elementType="O" x2="6276.0" y2="4813.0"/> <atom id="O-Acyl-L-Carnitines-atom11" elementType="O" x2="4847.0" y2="4813.0"/> <atom id="O-Acyl-L-Carnitines-atom12" elementType="C" x2="5388.0" y2="4190.0"/> <atom id="O-Acyl-L-Carnitines-atom13" elementType="O" x2="5118.0" y2="3410.0"/> <atom id="O-Acyl-L-Carnitines-atom14" elementType="R" x2="6208.0" y2="4104.0"/> </atomArray> <bondArray> <bond id="O-Acyl-L-Carnitines-bond1" atomRefs="O-Acyl-L-Carnitines-atom1 O-Acyl-L-Carnitines-atom2" order="1"/> <bond id="O-Acyl-L-Carnitines-bond2" atomRefs="O-Acyl-L-Carnitines-atom2 O-Acyl-L-Carnitines-atom3" order="1"/> <bond id="O-Acyl-L-Carnitines-bond3" atomRefs="O-Acyl-L-Carnitines-atom3 O-Acyl-L-Carnitines-atom4" order="1"/> <bond id="O-Acyl-L-Carnitines-bond4" atomRefs="O-Acyl-L-Carnitines-atom4 O-Acyl-L-Carnitines-atom5" order="1"/> <bond id="O-Acyl-L-Carnitines-bond5" atomRefs="O-Acyl-L-Carnitines-atom4 O-Acyl-L-Carnitines-atom6" order="1"/> <bond id="O-Acyl-L-Carnitines-bond6" atomRefs="O-Acyl-L-Carnitines-atom4 O-Acyl-L-Carnitines-atom7" order="1"/> <bond id="O-Acyl-L-Car…

CHEBI CHEBI:63104
structure data: InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

biopax-level3ChemicalStructure133805
structure data: <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom1" elementType="C" x2="64541.0" y2="-13236.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom2" elementType="O" x2="53138.0" y2="-50056.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom3" elementType="O" x2="59697.0" y2="-36867.0" formalCharge="-1"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom4" elementType="O" x2="31286.0" y2="0.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom5" elementType="O" x2="0.0" y2="-9435.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom6" elementType="C" x2="25057.0" y2="-13625.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom7" elementType="C" x2="17950.0" y2="-9435.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom8" elementType="C" x2="26566.0" y2="-41334.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom9" elementType="C" x2="57563.0" y2="-8834.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom10" elementType="C" x2="33166.0" y2="-36390.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom11" elementType="C" x2="51087.0" y2="-13943.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom12" elementType="C" x2="39884.0" y2="-41181.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom13" elementType="C" x2="44469.0" y2="-9010.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom14" elementType="C" x2="46714.0" y2="-36555.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom15" elementType="C" x2="37604.0" y2="-13589.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom16" elementType="C" x2="22323.0" y2="-28805.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom17" elementType="C" x2="2298.0" y2="-23955.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom18" elementType="O" x2="11527.0" y2="-36649.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom19" elementType="C" x2="53085.0" y2="-41805.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom20" elementType="C" x2="19777.0" y2="-36649.0"/> <atom id="5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA-atom21" elementType="…

CHEBI CHEBI:27640
structure data: InChI%3D1S%2FC31H64O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32%2Fh32H%2C2-31H2%2C1H3

biopax-level3ChemicalStructure159953
structure data: <cml> <molecule id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R" title="(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R" formalCharge="0" dictRef="dictGLUCOSAMINYL-ETCETERA-MANNOSYL-R"> <atomArray> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom1" elementType="C" x2="15051.0" y2="-87958.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom2" elementType="C" x2="62039.0" y2="-34450.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom3" elementType="O" x2="0.0" y2="-85614.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom4" elementType="O" x2="55016.0" y2="-47658.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom5" elementType="O" x2="35449.0" y2="-123910.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom6" elementType="O" x2="58025.0" y2="0.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom7" elementType="O" x2="56188.0" y2="-79093.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom8" elementType="O" x2="0.0" y2="-24915.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom9" elementType="O" x2="21236.0" y2="-123910.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom10" elementType="O" x2="64378.0" y2="-7693.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom11" elementType="O" x2="49830.0" y2="-90130.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom12" elementType="O" x2="8363.0" y2="-16223.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom13" elementType="O" x2="6855.0" y2="-115380.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom14" elementType="O" x2="62709.0" y2="-27756.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom15" elementType="O" x2="35617.0" y2="-98660.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom16" elementType="O" x2="24412.0" y2="-11874.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom17" elementType="O" x2="20069.0" y2="-44482.0"/> <atom id="GLUCOSAMINYL-ETCETERA-MANNOSYL-R-atom18" elementType="O" x2="47994.0" y2="-44482.0"/> <atom id="GLUCOSAMINYL-ET…

CHEBI CHEBI:61056
structure data: InChI%3D1S%2FC42H83O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41%2845%2949-37-40%2838-51-53%2847%2C48%2950-36-39%2844%2935-43%2952-42%2846%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh39-40%2C43-44H%2C3-38H2%2C1-2H3%2C%28H%2C47%2C48%29

biopax-level3ChemicalStructure173231
structure data: <atom id="CPD-11435-atom1" elementType="C" x2="-30938.0" y2="-12964.0"/> <atom id="CPD-11435-atom2" elementType="C" x2="-23793.0" y2="-17089.0"/> <atom id="CPD-11435-atom3" elementType="N" x2="-16648.0" y2="-12964.0"/> <atom id="CPD-11435-atom4" elementType="C" x2="-9503.0" y2="-17089.0"/> <atom id="CPD-11435-atom5" elementType="O" x2="-2359.0" y2="-12964.0"/> <atom id="CPD-11435-atom6" elementType="C" x2="-23793.0" y2="-25339.0"/> <bond id="CPD-11435-bond1" atomRefs="CPD-11435-atom1 CPD-11435-atom2" order="1"/> <bond id="CPD-11435-bond2" atomRefs="CPD-11435-atom2 CPD-11435-atom3" order="1"/> <bond id="CPD-11435-bond3" atomRefs="CPD-11435-atom3 CPD-11435-atom4" order="1"/> <bond id="CPD-11435-bond4" atomRefs="CPD-11435-atom4 CPD-11435-atom5" order="2"/> <bond id="CPD-11435-bond5" atomRefs="CPD-11435-atom2 CPD-11435-atom6" order="1"/> <formula concise="H 9 O 1 N 1 C 4"/> 87.121 CC(C)NC=O

biopax-level3ChemicalStructure170446
structure data: <atom id="MORPHINONE-atom1" elementType="C" x2="4810.0" y2="-3011.0"/> <atom id="MORPHINONE-atom2" elementType="C" x2="2858.0" y2="-2488.0"/> <atom id="MORPHINONE-atom3" elementType="C" x2="2858.0" y2="-5788.0"/> <atom id="MORPHINONE-atom4" elementType="C" x2="2144.0" y2="-6201.0"/> <atom id="MORPHINONE-atom5" elementType="C" x2="3803.0" y2="-4298.0"/> <atom id="MORPHINONE-atom6" elementType="C" x2="2727.0" y2="-4309.0"/> <atom id="MORPHINONE-atom7" elementType="C" x2="3572.0" y2="-4551.0"/> <atom id="MORPHINONE-atom8" elementType="O" x2="714.0" y2="-2076.0"/> <atom id="MORPHINONE-atom9" elementType="O" x2="714.0" y2="-6201.0"/> <atom id="MORPHINONE-atom10" elementType="C" x2="1429.0" y2="-2488.0"/> <atom id="MORPHINONE-atom11" elementType="C" x2="2858.0" y2="-3313.0"/> <atom id="MORPHINONE-atom12" elementType="C" x2="1429.0" y2="-4963.0"/> <atom id="MORPHINONE-atom13" elementType="C" x2="2858.0" y2="-4963.0"/> <atom id="MORPHINONE-atom14" elementType="C" x2="1429.0" y2="-5788.0"/> <atom id="MORPHINONE-atom15" elementType="C" x2="2144.0" y2="-4551.0"/> <atom id="MORPHINONE-atom16" elementType="N" x2="4398.0" y2="-3726.0" formalCharge="1"/> <atom id="MORPHINONE-atom17" elementType="C" x2="2144.0" y2="-2076.0"/> <atom id="MORPHINONE-atom18" elementType="C" x2="3572.0" y2="-3726.0"/> <atom id="MORPHINONE-atom19" elementType="C" x2="2144.0" y2="-3726.0"/> <atom id="MORPHINONE-atom20" elementType="O" x2="777.0" y2="-4269.0"/> <atom id="MORPHINONE-atom21" elementType="C" x2="1429.0" y2="-3313.0"/> <bond id="MORPHINONE-bond1" atomRefs="MORPHINONE-atom20 MORPHINONE-atom21" order="1"/> <bond id="MORPHINONE-bond2" atomRefs="MORPHINONE-atom1 MORPHINONE-atom16" order="1"/> <bond id="MORPHINONE-bond3" atomRefs="MORPHINONE-atom20 MORPHINONE-atom12" order="1"/> <bond id="MORPHINONE-bond4" atomRefs="MORPHINONE-atom2 MORPHINONE-atom11" order="1"/> <bond id="MORPHINONE-bond5" atomRefs="MORPHINONE-atom2 MORPHINONE-atom17" order="2"/> <bond id="MORPHINONE-bond6" atomRefs="MORPHINONE-at…

CHEBI CHEBI:8080
structure data: InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3

CHEBI CHEBI:52371
structure data: InChI%3D1S%2FC42H85NO4%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41%2846%2942%2847%2943-39%2838-44%2940%2845%2936-34-32-30-28-26-24-16-14-12-10-8-6-4-2%2Fh39-41%2C44-46H%2C3-38H2%2C1-2H3%2C%28H%2C43%2C47%29%2Ft39-%2C40%2B%2C41%3F%2Fm0%2Fs1

CHEBI CHEBI:28386
structure data: InChI%3D1S%2FC9H10O2%2Fc10-7-1-2-8-3-5-9%2811%296-4-8%2Fh1-6%2C10-11H%2C7H2

biopax-level3ChemicalStructure135648
structure data: <cml> <molecule id="Chondroitin-D-glucuronates" title="[chondroitin-sulfate]-beta-D-glucuronate" formalCharge="-1" dictRef="dictChondroitin-D-glucuronates"> <atomArray> <atom id="Chondroitin-D-glucuronates-atom1" elementType="O" x2="515.0" y2="-721.0"/> <atom id="Chondroitin-D-glucuronates-atom2" elementType="O" x2="443.0" y2="-598.0" formalCharge="-1"/> <atom id="Chondroitin-D-glucuronates-atom3" elementType="O" x2="800.0" y2="-475.0"/> <atom id="Chondroitin-D-glucuronates-atom4" elementType="O" x2="800.0" y2="-639.0"/> <atom id="Chondroitin-D-glucuronates-atom5" elementType="C" x2="585.0" y2="-516.0"/> <atom id="Chondroitin-D-glucuronates-atom6" elementType="O" x2="657.0" y2="-392.0"/> <atom id="Chondroitin-D-glucuronates-atom7" elementType="C" x2="515.0" y2="-639.0"/> <atom id="Chondroitin-D-glucuronates-atom8" elementType="C" x2="728.0" y2="-516.0"/> <atom id="Chondroitin-D-glucuronates-atom9" elementType="C" x2="728.0" y2="-598.0"/> <atom id="Chondroitin-D-glucuronates-atom10" elementType="C" x2="657.0" y2="-475.0"/> <atom id="Chondroitin-D-glucuronates-atom11" elementType="C" x2="585.0" y2="-598.0"/> <atom id="Chondroitin-D-glucuronates-atom12" elementType="O" x2="657.0" y2="-639.0"/> <atom id="Chondroitin-D-glucuronates-atom13" elementType="O" x2="514.0" y2="-475.0"/> <atom id="Chondroitin-D-glucuronates-atom14" elementType="R1" x2="800.0" y2="-722.0"/> <atom id="Chondroitin-D-glucuronates-atom15" elementType="R2" x2="514.0" y2="-392.0"/> </atomArray> <bondArray> <bond id="Chondroitin-D-glucuronates-bond1" atomRefs="Chondroitin-D-glucuronates-atom11 Chondroitin-D-glucuronates-atom12" order="1"/> <bond id="Chondroitin-D-glucuronates-bond2" atomRefs="Chondroitin-D-glucuronates-atom9 Chondroitin-D-glucuronates-atom12" order="1"/> <bond id="Chondroitin-D-glucuronates-bond3" atomRefs="Chondroitin-D-glucuronates-atom8 Chondroitin-D-glucuronates-atom10" order="1"/> <bond id="Chondroitin-D-glucuronates-bond4" atomRefs="Chondroitin-D-glucuronates-atom8 Chondroitin-D-g…

biopax-level3ChemicalStructure152142
structure data: <cml> <molecule id="CPD-8631" title="a G(5')ppPur-mRNA" formalCharge="-5" dictRef="dictCPD-8631"> <atomArray> <atom id="CPD-8631-atom1" elementType="P" x2="1539.0" y2="1268.0"/> <atom id="CPD-8631-atom2" elementType="P" x2="968.0" y2="955.0"/> <atom id="CPD-8631-atom3" elementType="P" x2="1756.0" y2="1607.0"/> <atom id="CPD-8631-atom4" elementType="P" x2="1140.0" y2="955.0"/> <atom id="CPD-8631-atom5" elementType="P" x2="1312.0" y2="955.0"/> <atom id="CPD-8631-atom6" elementType="O" x2="668.0" y2="909.0"/> <atom id="CPD-8631-atom7" elementType="O" x2="1539.0" y2="1188.0"/> <atom id="CPD-8631-atom8" elementType="O" x2="1577.0" y2="986.0"/> <atom id="CPD-8631-atom9" elementType="O" x2="1852.0" y2="1303.0"/> <atom id="CPD-8631-atom10" elementType="O" x2="587.0" y2="1101.0"/> <atom id="CPD-8631-atom11" elementType="O" x2="1756.0" y2="1526.0"/> <atom id="CPD-8631-atom12" elementType="O" x2="883.0" y2="955.0"/> <atom id="CPD-8631-atom13" elementType="O" x2="771.0" y2="1088.0"/> <atom id="CPD-8631-atom14" elementType="O" x2="1667.0" y2="1268.0"/> <atom id="CPD-8631-atom15" elementType="O" x2="1054.0" y2="955.0"/> <atom id="CPD-8631-atom16" elementType="O" x2="1226.0" y2="955.0"/> <atom id="CPD-8631-atom17" elementType="O" x2="681.0" y2="596.0"/> <atom id="CPD-8631-atom18" elementType="O" x2="1398.0" y2="955.0"/> <atom id="CPD-8631-atom19" elementType="O" x2="1915.0" y2="1607.0"/> <atom id="CPD-8631-atom20" elementType="O" x2="1667.0" y2="1175.0"/> <atom id="CPD-8631-atom21" elementType="O" x2="1941.0" y2="1487.0"/> <atom id="CPD-8631-atom22" elementType="O" x2="1457.0" y2="1268.0"/> <atom id="CPD-8631-atom23" elementType="O" x2="1539.0" y2="1345.0" formalCharge="-1"/> <atom id="CPD-8631-atom24" elementType="O" x2="968.0" y2="870.0"/> <atom id="CPD-8631-atom25" elementType="O" x2="968.0" y2="1042.0" formalCharge="-1"/> <atom id="CPD-8631-atom26" elementType="O" x2="2121.0" y2="1641.0"/> <atom id="CPD-8631-atom27" elementType="O" x2="1676.0" y2="1607.0"/> <atom id="CPD-8631-…

biopax-level3ChemicalStructure166348
structure data: <cml> <molecule id="Monoamines" title="a monoamine" formalCharge="0"> <atomArray> <atom id="Monoamines-atom1" elementType="R1" x2="-1686.0" y2="-1686.0"/> <atom id="Monoamines-atom2" elementType="C" x2="6564.0" y2="-1686.0"/> <atom id="Monoamines-atom3" elementType="N" x2="14814.0" y2="-1686.0"/> <atom id="Monoamines-atom4" elementType="R2" x2="23064.0" y2="-1686.0"/> </atomArray> <bondArray> <bond id="Monoamines-bond1" atomRefs="Monoamines-atom1 Monoamines-atom2" order="1"/> <bond id="Monoamines-bond2" atomRefs="Monoamines-atom2 Monoamines-atom3" order="1"/> <bond id="Monoamines-bond3" atomRefs="Monoamines-atom3 Monoamines-atom4" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(N[R2])[R1]</string> </molecule> </cml>

CHEBI CHEBI:58040
structure data: InChI%3D1S%2FC2H7N%2Fc1-3-2%2Fh3H%2C1-2H3%2Fp%2B1

CHEBI CHEBI:53653
structure data: InChI%3D1S%2FC9H23N3%2Fc10-6-2-1-4-9%288-12%295-3-7-11%2Fh9H%2C1-8%2C10-12H2

CHEBI CHEBI:51051
structure data: InChI%3D1S%2FC9H18N2O2%2Fc1-9%2813%2911-7-4-6-10-5-2-3-8-12%2Fh8%2C10H%2C2-7H2%2C1H3%2C%28H%2C11%2C13%29

biopax-level3ChemicalStructure170315
structure data: <atom id="3-HYDROXYQUININE-atom1" elementType="C" x2="470460.0" y2="-595100.0"/> <atom id="3-HYDROXYQUININE-atom2" elementType="C" x2="1760.0" y2="-247490.0"/> <atom id="3-HYDROXYQUININE-atom3" elementType="O" x2="224510.0" y2="-302740.0"/> <atom id="3-HYDROXYQUININE-atom4" elementType="O" x2="483390.0" y2="-515720.0"/> <atom id="3-HYDROXYQUININE-atom5" elementType="C" x2="393460.0" y2="-565470.0"/> <atom id="3-HYDROXYQUININE-atom6" elementType="C" x2="357240.0" y2="-41250.0"/> <atom id="3-HYDROXYQUININE-atom7" elementType="C" x2="357240.0" y2="-123750.0"/> <atom id="3-HYDROXYQUININE-atom8" elementType="C" x2="71440.0" y2="-41250.0"/> <atom id="3-HYDROXYQUININE-atom9" elementType="C" x2="142900.0" y2="0.0"/> <atom id="3-HYDROXYQUININE-atom10" elementType="C" x2="142900.0" y2="-165000.0"/> <atom id="3-HYDROXYQUININE-atom11" elementType="C" x2="504050.0" y2="-307960.0"/> <atom id="3-HYDROXYQUININE-atom12" elementType="C" x2="466760.0" y2="-381560.0"/> <atom id="3-HYDROXYQUININE-atom13" elementType="C" x2="473870.0" y2="-435980.0"/> <atom id="3-HYDROXYQUININE-atom14" elementType="C" x2="330340.0" y2="-370410.0"/> <atom id="3-HYDROXYQUININE-atom15" elementType="N" x2="285790.0" y2="0.0"/> <atom id="3-HYDROXYQUININE-atom16" elementType="O" x2="0.0" y2="-165000.0"/> <atom id="3-HYDROXYQUININE-atom17" elementType="C" x2="71440.0" y2="-123750.0"/> <atom id="3-HYDROXYQUININE-atom18" elementType="C" x2="285790.0" y2="-165000.0"/> <atom id="3-HYDROXYQUININE-atom19" elementType="C" x2="214340.0" y2="-41250.0"/> <atom id="3-HYDROXYQUININE-atom20" elementType="C" x2="214340.0" y2="-123750.0"/> <atom id="3-HYDROXYQUININE-atom21" elementType="C" x2="285790.0" y2="-247510.0"/> <atom id="3-HYDROXYQUININE-atom22" elementType="N" x2="425950.0" y2="-334560.0" formalCharge="1"/> <atom id="3-HYDROXYQUININE-atom23" elementType="C" x2="406740.0" y2="-401550.0"/> <atom id="3-HYDROXYQUININE-atom24" elementType="C" x2="355390.0" y2="-291810.0"/> <atom id="3-HYDROXYQUININE-atom25" elementType="…

CHEBI CHEBI:16325
structure data: InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29%2Ft15-%2C16-%2C17-%2C18%2B%2C19-%2C20%2B%2C21%2B%2C23%2B%2C24-%2Fm1%2Fs1

CHEBI CHEBI:42394
structure data: InChI%3D1S%2FC23H46O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23%2824%2925%2Fh2-22H2%2C1H3%2C%28H%2C24%2C25%29

CHEBI CHEBI:55525
structure data: InChI%3D1S%2FC9H16O3%2Fc1-2-3-4-5-6-7-8%2810%299%2811%2912%2Fh2-7H2%2C1H3%2C%28H%2C11%2C12%29%2Fp-1

biopax-level3ChemicalStructure133262
structure data: <atom id="tRNA-pseudouridine-38-40-atom1" elementType="C" x2="1622.0" y2="1368.0"/> <atom id="tRNA-pseudouridine-38-40-atom2" elementType="C" x2="1705.0" y2="1368.0"/> <atom id="tRNA-pseudouridine-38-40-atom3" elementType="C" x2="1730.0" y2="1289.0"/> <atom id="tRNA-pseudouridine-38-40-atom4" elementType="C" x2="1664.0" y2="1241.0"/> <atom id="tRNA-pseudouridine-38-40-atom5" elementType="O" x2="1598.0" y2="1289.0"/> <atom id="tRNA-pseudouridine-38-40-atom6" elementType="O" x2="1749.0" y2="1417.0"/> <atom id="tRNA-pseudouridine-38-40-atom7" elementType="C" x2="1552.0" y2="1409.0"/> <atom id="tRNA-pseudouridine-38-40-atom8" elementType="O" x2="1471.0" y2="1409.0"/> <atom id="tRNA-pseudouridine-38-40-atom9" elementType="P" x2="1388.0" y2="1409.0"/> <atom id="tRNA-pseudouridine-38-40-atom10" elementType="O" x2="1388.0" y2="1491.0" formalCharge="-1"/> <atom id="tRNA-pseudouridine-38-40-atom11" elementType="O" x2="1388.0" y2="1326.0"/> <atom id="tRNA-pseudouridine-38-40-atom12" elementType="O" x2="1787.0" y2="1232.0"/> <atom id="tRNA-pseudouridine-38-40-atom13" elementType="N" x2="1556.0" y2="1027.0"/> <atom id="tRNA-pseudouridine-38-40-atom14" elementType="C" x2="1556.0" y2="1109.0"/> <atom id="tRNA-pseudouridine-38-40-atom15" elementType="C" x2="1628.0" y2="1150.0"/> <atom id="tRNA-pseudouridine-38-40-atom16" elementType="C" x2="1699.0" y2="1109.0"/> <atom id="tRNA-pseudouridine-38-40-atom17" elementType="N" x2="1699.0" y2="1027.0"/> <atom id="tRNA-pseudouridine-38-40-atom18" elementType="C" x2="1628.0" y2="986.0"/> <atom id="tRNA-pseudouridine-38-40-atom19" elementType="O" x2="1770.0" y2="1150.0"/> <atom id="tRNA-pseudouridine-38-40-atom20" elementType="O" x2="1628.0" y2="904.0"/> <atom id="tRNA-pseudouridine-38-40-atom21" elementType="P" x2="1832.0" y2="1417.0"/> <atom id="tRNA-pseudouridine-38-40-atom22" elementType="O" x2="1914.0" y2="1417.0"/> <atom id="tRNA-pseudouridine-38-40-atom23" elementType="O" x2="1832.0" y2="1335.0"/> <atom id="tRNA-pseudouridine-38-40-ato…

CHEBI CHEBI:29133
structure data: InChI%3D1S%2FC17H23NO%2Fc1-18-9-8-17-7-3-2-4-14%2817%2916%2818%2910-12-5-6-13%2819%2911-15%2812%2917%2Fh5-6%2C11%2C14%2C16%2C19H%2C2-4%2C7-10H2%2C1H3%2Ft14-%2C16%2B%2C17%2B%2Fm1%2Fs1

CHEBI CHEBI:58589
structure data: InChI%3D1S%2FC8H12NO6P%2Fc1-5-8%2811%297%283-10%296%282-9-5%294-15-16%2812%2C13%2914%2Fh2%2C10-11H%2C3-4H2%2C1H3%2C%28H2%2C12%2C13%2C14%29%2Fp-2

CHEBI CHEBI:15344
structure data: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)

biopax-level3ChemicalStructure138326
structure data: <atom id="PHENYLETHYLAMINE-atom1" elementType="C" x2="-16762.0" y2="-12007.0"/> <atom id="PHENYLETHYLAMINE-atom2" elementType="N" x2="16714.0" y2="2353.0" formalCharge="1"/> <atom id="PHENYLETHYLAMINE-atom3" elementType="C" x2="-1921.0" y2="-12007.0"/> <atom id="PHENYLETHYLAMINE-atom4" elementType="C" x2="-9366.0" y2="576.0"/> <atom id="PHENYLETHYLAMINE-atom5" elementType="C" x2="3362.0" y2="-432.0"/> <atom id="PHENYLETHYLAMINE-atom6" elementType="C" x2="10999.0" y2="-3554.0"/> <atom id="PHENYLETHYLAMINE-atom7" elementType="C" x2="-16762.0" y2="-3842.0"/> <atom id="PHENYLETHYLAMINE-atom8" elementType="C" x2="-1921.0" y2="-3842.0"/> <atom id="PHENYLETHYLAMINE-atom9" elementType="C" x2="-9366.0" y2="-16762.0"/> <bond id="PHENYLETHYLAMINE-bond1" atomRefs="PHENYLETHYLAMINE-atom9 PHENYLETHYLAMINE-atom1" order="2"/> <bond id="PHENYLETHYLAMINE-bond2" atomRefs="PHENYLETHYLAMINE-atom8 PHENYLETHYLAMINE-atom3" order="2"/> <bond id="PHENYLETHYLAMINE-bond3" atomRefs="PHENYLETHYLAMINE-atom8 PHENYLETHYLAMINE-atom5" order="1"/> <bond id="PHENYLETHYLAMINE-bond4" atomRefs="PHENYLETHYLAMINE-atom7 PHENYLETHYLAMINE-atom4" order="2"/> <bond id="PHENYLETHYLAMINE-bond5" atomRefs="PHENYLETHYLAMINE-atom5 PHENYLETHYLAMINE-atom6" order="1"/> <bond id="PHENYLETHYLAMINE-bond6" atomRefs="PHENYLETHYLAMINE-atom4 PHENYLETHYLAMINE-atom8" order="1"/> <bond id="PHENYLETHYLAMINE-bond7" atomRefs="PHENYLETHYLAMINE-atom3 PHENYLETHYLAMINE-atom9" order="1"/> <bond id="PHENYLETHYLAMINE-bond8" atomRefs="PHENYLETHYLAMINE-atom2 PHENYLETHYLAMINE-atom6" order="1"/> <bond id="PHENYLETHYLAMINE-bond9" atomRefs="PHENYLETHYLAMINE-atom1 PHENYLETHYLAMINE-atom7" order="1"/> <formula concise="H 12 N 1 C 8"/> 122.189 C1(C=CC(CC[N+])=CC=1)

biopax-level3ChemicalStructure174418
structure data: <atom id="CPD-12374-atom1" elementType="C" x2="-54371.0" y2="-7752.0"/> <atom id="CPD-12374-atom2" elementType="C" x2="-61516.0" y2="-3627.0"/> <atom id="CPD-12374-atom3" elementType="C" x2="-61516.0" y2="4623.0"/> <atom id="CPD-12374-atom4" elementType="C" x2="-54371.0" y2="8748.0"/> <atom id="CPD-12374-atom5" elementType="C" x2="-47226.0" y2="-3627.0"/> <atom id="CPD-12374-atom6" elementType="N" x2="-39380.0" y2="-6177.0"/> <atom id="CPD-12374-atom7" elementType="C" x2="-47226.0" y2="4623.0"/> <atom id="CPD-12374-atom8" elementType="C" x2="-39380.0" y2="7172.0"/> <atom id="CPD-12374-atom9" elementType="C" x2="-34531.0" y2="498.0"/> <atom id="CPD-12374-atom10" elementType="O" x2="-68660.0" y2="-7752.0"/> <atom id="CPD-12374-atom11" elementType="O" x2="-68660.0" y2="8748.0"/> <atom id="CPD-12374-atom12" elementType="C" x2="-26281.0" y2="498.0"/> <atom id="CPD-12374-atom13" elementType="O" x2="-22156.0" y2="-6647.0"/> <atom id="CPD-12374-atom14" elementType="O" x2="-24146.0" y2="8467.0" formalCharge="-1"/> <bond id="CPD-12374-bond1" atomRefs="CPD-12374-atom1 CPD-12374-atom2" order="1"/> <bond id="CPD-12374-bond2" atomRefs="CPD-12374-atom2 CPD-12374-atom3" order="1"/> <bond id="CPD-12374-bond3" atomRefs="CPD-12374-atom3 CPD-12374-atom4" order="1"/> <bond id="CPD-12374-bond4" atomRefs="CPD-12374-atom4 CPD-12374-atom7" order="2"/> <bond id="CPD-12374-bond5" atomRefs="CPD-12374-atom1 CPD-12374-atom5" order="2"/> <bond id="CPD-12374-bond6" atomRefs="CPD-12374-atom6 CPD-12374-atom5" order="1"/> <bond id="CPD-12374-bond7" atomRefs="CPD-12374-atom7 CPD-12374-atom8" order="1"/> <bond id="CPD-12374-bond8" atomRefs="CPD-12374-atom8 CPD-12374-atom9" order="2"/> <bond id="CPD-12374-bond9" atomRefs="CPD-12374-atom6 CPD-12374-atom9" order="1"/> <bond id="CPD-12374-bond10" atomRefs="CPD-12374-atom5 CPD-12374-atom7" order="1"/> <bond id="CPD-12374-bond11" atomRefs="CPD-12374-atom2 CPD-12374-atom10" order="2"/> <bond id="CPD-12374-bond12" atomRefs="CPD-12374-atom3 CPD-12374-atom11" or…

CHEBI CHEBI:48685
structure data: InChI%3D1S%2FC16H26O%2Fc1-11-8-9-15%2816%2811%2C3%294%2914-7-5-6-13%2810-14%2912%282%2917%2Fh7-8%2C12-13%2C15%2C17H%2C5-6%2C9-10H2%2C1-4H3

CHEBI CHEBI:63698
structure data: InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18-%2C20-%2C22%2B%2Fm0%2Fs1

CHEBI CHEBI:64095
structure data: InChI%3D1S%2FC20H30O4%2Fc1-2-3-8-12-17%2821%2913-9-6-4-5-7-10-14-18-19%2824-18%2915-11-16-20%2822%2923%2Fh4-7%2C9-10%2C13-14%2C17-19%2C21H%2C2-3%2C8%2C11-12%2C15-16H2%2C1H3%2C%28H%2C22%2C23%29%2Fb6-4-%2C7-5%2B%2C13-9%2B%2C14-10%2B%2Ft17-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure169327
structure data: <atom id="CPD-4575-atom1" elementType="C" x2="7820.0" y2="-3260.0"/> <atom id="CPD-4575-atom2" elementType="C" x2="8882.0" y2="-4216.0"/> <atom id="CPD-4575-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-4575-atom4" elementType="C" x2="2144.0" y2="-3444.0"/> <atom id="CPD-4575-atom5" elementType="C" x2="846.0" y2="-799.0"/> <atom id="CPD-4575-atom6" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-4575-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-4575-atom8" elementType="O" x2="0.0" y2="-1382.0"/> <atom id="CPD-4575-atom9" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-4575-atom10" elementType="C" x2="6716.0" y2="-4486.0"/> <atom id="CPD-4575-atom11" elementType="C" x2="2012.0" y2="-799.0"/> <atom id="CPD-4575-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-4575-atom13" elementType="C" x2="2889.0" y2="-3888.0"/> <atom id="CPD-4575-atom14" elementType="C" x2="6164.0" y2="-5099.0"/> <atom id="CPD-4575-atom15" elementType="C" x2="2858.0" y2="-1382.0"/> <atom id="CPD-4575-atom16" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-4575-atom17" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-4575-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-4575-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-4575-atom20" elementType="C" x2="1429.0" y2="-3032.0"/> <atom id="CPD-4575-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-4575-atom22" elementType="C" x2="3603.0" y2="-2651.0"/> <atom id="CPD-4575-atom23" elementType="C" x2="2889.0" y2="-3063.0"/> <atom id="CPD-4575-atom24" elementType="C" x2="5358.0" y2="-4928.0"/> <atom id="CPD-4575-atom25" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-4575-atom26" elementType="C" x2="4318.0" y2="-3063.0"/> <atom id="CPD-4575-atom27" elementType="C" x2="5102.0" y2="-4143.0"/> <atom id="CPD-4575-atom28" elementType="C" x2="2144.0" y2="-1795.0"/> <atom id="CPD-4575-atom29" elementType="C" x2="2144.0" y2="-2…

CHEBI CHEBI:60273
structure data: InChI%3D1S%2FC32H64NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-31%2834%2938-28-30%2829-40-42%2836%2C37%2939-27-26-33%283%2C4%295%2941-32%2835%2925-23-21-19-17-15-13-11-9-7-2%2Fh30H%2C6-29H2%2C1-5H3%2Fp%2B1%2Ft30-%2Fm1%2Fs1

biopax-level3ChemicalStructure169300
structure data: <atom id="4-METHYL-824-CHOLESTADIENOL-atom1" elementType="C" x2="8882.0" y2="-3667.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom2" elementType="C" x2="7820.0" y2="-2711.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom3" elementType="C" x2="1481.0" y2="0.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom4" elementType="C" x2="2143.0" y2="-2896.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom5" elementType="C" x2="4404.0" y2="-4160.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom6" elementType="O" x2="0.0" y2="-834.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom7" elementType="C" x2="7523.0" y2="-4109.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom8" elementType="C" x2="6716.0" y2="-3937.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom9" elementType="C" x2="3572.0" y2="-1246.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom10" elementType="C" x2="2889.0" y2="-3339.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom11" elementType="C" x2="6164.0" y2="-4550.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom12" elementType="C" x2="714.0" y2="-2071.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom13" elementType="C" x2="2858.0" y2="-834.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom14" elementType="C" x2="5102.0" y2="-2259.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom15" elementType="C" x2="5587.0" y2="-2927.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom16" elementType="C" x2="3604.0" y2="-3752.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom17" elementType="C" x2="1429.0" y2="-2483.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom18" elementType="C" x2="8075.0" y2="-3496.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom19" elementType="C" x2="3604.0" y2="-2102.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom20" elementType="C" x2="2889.0" y2="-2515.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom21" elementType="C" x2="5357.0" y2="-4379.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom22" elementType="C" x2="714.0" y2="-1246.0"/> <atom id="4-METHYL-824-CHOLESTADIENOL-atom23" elementType="C" …

biopax-level3ChemicalStructure142911
structure data: <cml> <molecule id="AN-ALPHA-L-FUCOSIDE" title="alpha-L-fucoside" formalCharge="0" dictRef="dictAN-ALPHA-L-FUCOSIDE"> <atomArray> <atom id="AN-ALPHA-L-FUCOSIDE-atom1" elementType="C" x2="0.0" y2="-4231.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom2" elementType="O" x2="0.0" y2="-1407.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom3" elementType="O" x2="2446.0" y2="0.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom4" elementType="O" x2="4881.0" y2="-1407.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom5" elementType="R" x2="6093.0" y2="-3788.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom6" elementType="O" x2="4881.0" y2="-4231.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom7" elementType="O" x2="2446.0" y2="-4231.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom8" elementType="C" x2="1223.0" y2="-3517.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom9" elementType="C" x2="1223.0" y2="-2110.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom10" elementType="C" x2="2446.0" y2="-1407.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom11" elementType="C" x2="3658.0" y2="-2110.0"/> <atom id="AN-ALPHA-L-FUCOSIDE-atom12" elementType="C" x2="3658.0" y2="-3517.0"/> </atomArray> <bondArray> <bond id="AN-ALPHA-L-FUCOSIDE-bond1" atomRefs="AN-ALPHA-L-FUCOSIDE-atom11 AN-ALPHA-L-FUCOSIDE-atom12" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond2" atomRefs="AN-ALPHA-L-FUCOSIDE-atom10 AN-ALPHA-L-FUCOSIDE-atom11" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond3" atomRefs="AN-ALPHA-L-FUCOSIDE-atom9 AN-ALPHA-L-FUCOSIDE-atom10" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond4" atomRefs="AN-ALPHA-L-FUCOSIDE-atom8 AN-ALPHA-L-FUCOSIDE-atom9" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond5" atomRefs="AN-ALPHA-L-FUCOSIDE-atom7 AN-ALPHA-L-FUCOSIDE-atom12" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond6" atomRefs="AN-ALPHA-L-FUCOSIDE-atom7 AN-ALPHA-L-FUCOSIDE-atom8" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond7" atomRefs="AN-ALPHA-L-FUCOSIDE-atom12 AN-ALPHA-L-FUCOSIDE-atom6" order="1"/> <bond id="AN-ALPHA-L-FUCOSIDE-bond8" atomRefs="AN-ALPHA-L-FUCOSIDE-atom5 AN-ALPHA-L-FUCOSIDE-atom6" o…

CHEBI CHEBI:53800
structure data: InChI%3D1S%2FC6H10O4%2Fc1-2-4%287%293-5%288%296%289%2910%2Fh4%2C7H%2C2-3H2%2C1H3%2C%28H%2C9%2C10%29%2Fp-1

biopax-level3ChemicalStructure158863
structure data: <cml> <molecule id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT" title="alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R" formalCharge="0" dictRef="dictALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT"> <atomArray> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom1" elementType="C" x2="16199.0" y2="-2081.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom2" elementType="C" x2="101468.0" y2="-96253.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom3" elementType="O" x2="40704.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom4" elementType="O" x2="124294.0" y2="-100707.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom5" elementType="O" x2="81547.0" y2="-40337.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom6" elementType="O" x2="0.0" y2="-74230.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom7" elementType="O" x2="39133.0" y2="-113744.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom8" elementType="O" x2="63008.0" y2="-162132.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom9" elementType="O" x2="82707.0" y2="-61251.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom10" elementType="O" x2="7812.0" y2="-62943.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom11" elementType="O" x2="57754.0" y2="-14977.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom12" elementType="O" x2="7906.0" y2="-48948.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom13" elementType="O" x2="42870.0" y2="-71988.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom14" elementType="O" x2="63008.0" y2="-120132.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom15" elementType="O" x2="90945.0" y2="-78376.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom16" elementType="R" x2="124479.0" y2="-142872.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT-atom17" elementType="C" x2="13999.0" y2="-74374.0"/> <atom…

CHEBI CHEBI:28646
structure data: InChI%3D1S%2FC3H5N5O%2Fc4-1-6-2%285%298-3%289%297-1%2Fh%28H5%2C4%2C5%2C6%2C7%2C8%2C9%29

CHEBI CHEBI:57404
structure data: InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-19%2C21-23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fp-1%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%2B%2C18-%2C19%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure140499
structure data: <atom id="DEOXYURIDINE-atom1" elementType="O" x2="3383.0" y2="-5079.0"/> <atom id="DEOXYURIDINE-atom2" elementType="O" x2="1962.0" y2="-2612.0"/> <atom id="DEOXYURIDINE-atom3" elementType="O" x2="0.0" y2="-1157.0"/> <atom id="DEOXYURIDINE-atom4" elementType="O" x2="1156.0" y2="0.0"/> <atom id="DEOXYURIDINE-atom5" elementType="C" x2="4104.0" y2="-3848.0"/> <atom id="DEOXYURIDINE-atom6" elementType="C" x2="4104.0" y2="-3018.0"/> <atom id="DEOXYURIDINE-atom7" elementType="C" x2="612.0" y2="-1704.0"/> <atom id="DEOXYURIDINE-atom8" elementType="C" x2="2465.0" y2="-662.0"/> <atom id="DEOXYURIDINE-atom9" elementType="O" x2="2050.0" y2="-1924.0"/> <atom id="DEOXYURIDINE-atom10" elementType="C" x2="3385.0" y2="-4258.0"/> <atom id="DEOXYURIDINE-atom11" elementType="C" x2="2675.0" y2="-3018.0"/> <atom id="DEOXYURIDINE-atom12" elementType="C" x2="1640.0" y2="-662.0"/> <atom id="DEOXYURIDINE-atom13" elementType="C" x2="1391.0" y2="-1447.0"/> <atom id="DEOXYURIDINE-atom14" elementType="C" x2="2718.0" y2="-1447.0"/> <atom id="DEOXYURIDINE-atom15" elementType="N" x2="2675.0" y2="-3848.0"/> <atom id="DEOXYURIDINE-atom16" elementType="N" x2="3384.0" y2="-2597.0"/> <bond id="DEOXYURIDINE-bond1" atomRefs="DEOXYURIDINE-atom14 DEOXYURIDINE-atom16" order="1"/> <bond id="DEOXYURIDINE-bond2" atomRefs="DEOXYURIDINE-atom12 DEOXYURIDINE-atom13" order="1"/> <bond id="DEOXYURIDINE-bond3" atomRefs="DEOXYURIDINE-atom11 DEOXYURIDINE-atom16" order="1"/> <bond id="DEOXYURIDINE-bond4" atomRefs="DEOXYURIDINE-atom15 DEOXYURIDINE-atom11" order="1"/> <bond id="DEOXYURIDINE-bond5" atomRefs="DEOXYURIDINE-atom10 DEOXYURIDINE-atom15" order="1"/> <bond id="DEOXYURIDINE-bond6" atomRefs="DEOXYURIDINE-atom9 DEOXYURIDINE-atom14" order="1"/> <bond id="DEOXYURIDINE-bond7" atomRefs="DEOXYURIDINE-atom9 DEOXYURIDINE-atom13" order="1"/> <bond id="DEOXYURIDINE-bond8" atomRefs="DEOXYURIDINE-atom8 DEOXYURIDINE-atom14" order="1"/> <bond id="DEOXYURIDINE-bond9" atomRefs="DEOXYURIDINE-atom8 DEOXYURIDINE-atom12" order="1"/> <b…

CHEBI CHEBI:32365
structure data: InChI%3D1S%2FC17H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2818%2919%2Fh2-16H2%2C1H3%2C%28H%2C18%2C19%29

CHEBI CHEBI:15698
structure data: InChI%3D1S%2FC9H13N3O4%2Fc10-7-1-2-12%289%2815%2911-7%298-3-5%2814%296%284-13%2916-8%2Fh1-2%2C5-6%2C8%2C13-14H%2C3-4H2%2C%28H2%2C10%2C11%2C15%29%2Ft5-%2C6%2B%2C8%2B%2Fm0%2Fs1

CHEBI CHEBI:60427
structure data: InChI%3D1S%2FC39H73O8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38%2840%2945-35-37%2836-46-48%2842%2C43%2944%2947-39%2841%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh17-20%2C37H%2C3-16%2C21-36H2%2C1-2H3%2C%28H2%2C42%2C43%2C44%29%2Fb19-17-%2C20-18-

biopax-level3ChemicalStructure136782
structure data: <atom id="CPD-1083-atom1" elementType="C" x2="1251440.0" y2="-86920.0"/> <atom id="CPD-1083-atom2" elementType="C" x2="1107380.0" y2="0.0"/> <atom id="CPD-1083-atom3" elementType="C" x2="306580.0" y2="-34400.0"/> <atom id="CPD-1083-atom4" elementType="C" x2="305880.0" y2="-199350.0"/> <atom id="CPD-1083-atom5" elementType="N" x2="375940.0" y2="-849800.0"/> <atom id="CPD-1083-atom6" elementType="O" x2="722630.0" y2="-5700.0"/> <atom id="CPD-1083-atom7" elementType="O" x2="440740.0" y2="-18960.0"/> <atom id="CPD-1083-atom8" elementType="O" x2="1042560.0" y2="-217940.0"/> <atom id="CPD-1083-atom9" elementType="O" x2="293660.0" y2="-265010.0"/> <atom id="CPD-1083-atom10" elementType="O" x2="1450.0" y2="-456440.0"/> <atom id="CPD-1083-atom11" elementType="O" x2="0.0" y2="-126610.0"/> <atom id="CPD-1083-atom12" elementType="O" x2="379410.0" y2="-242070.0"/> <atom id="CPD-1083-atom13" elementType="O" x2="546110.0" y2="-340650.0"/> <atom id="CPD-1083-atom14" elementType="O" x2="293320.0" y2="-430010.0" formalCharge="-1"/> <atom id="CPD-1083-atom15" elementType="O" x2="211510.0" y2="-347510.0" formalCharge="-1"/> <atom id="CPD-1083-atom16" elementType="O" x2="82850.0" y2="-539050.0" formalCharge="-1"/> <atom id="CPD-1083-atom17" elementType="O" x2="82510.0" y2="-44080.0" formalCharge="-1"/> <atom id="CPD-1083-atom18" elementType="C" x2="1180160.0" y2="-128450.0"/> <atom id="CPD-1083-atom19" elementType="C" x2="308860.0" y2="-636590.0"/> <atom id="CPD-1083-atom20" elementType="C" x2="591620.0" y2="-717190.0"/> <atom id="CPD-1083-atom21" elementType="C" x2="851570.0" y2="-92220.0"/> <atom id="CPD-1083-atom22" elementType="C" x2="579940.0" y2="-99030.0"/> <atom id="CPD-1083-atom23" elementType="C" x2="917310.0" y2="-142060.0"/> <atom id="CPD-1083-atom24" elementType="C" x2="652990.0" y2="-137360.0"/> <atom id="CPD-1083-atom25" elementType="C" x2="322650.0" y2="-510380.0"/> <atom id="CPD-1083-atom26" elementType="C" x2="239280.0" y2="-162280.0"/> <atom id="CPD-1083-atom27" eleme…

CHEBI CHEBI:45895
structure data: InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3

CHEBI CHEBI:32111
structure data: InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure155985
structure data: <atom id="D-HEXOSE-6-PHOSPHATE-atom1" elementType="O" x2="836.0" y2="-1228.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom2" elementType="O" x2="5222.0" y2="-2475.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom3" elementType="O" x2="5222.0" y2="-825.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom4" elementType="O" x2="3793.0" y2="0.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom5" elementType="O" x2="2364.0" y2="-825.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom6" elementType="O" x2="814.0" y2="-2877.0" formalCharge="-1"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom7" elementType="O" x2="0.0" y2="-2048.0" formalCharge="-1"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom8" elementType="C" x2="2364.0" y2="-2475.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom9" elementType="O" x2="1650.0" y2="-2062.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom10" elementType="O" x2="3793.0" y2="-2475.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom11" elementType="C" x2="4508.0" y2="-2062.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom12" elementType="C" x2="4508.0" y2="-1238.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom13" elementType="C" x2="3793.0" y2="-825.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom14" elementType="C" x2="3079.0" y2="-1238.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom15" elementType="C" x2="3079.0" y2="-2062.0"/> <atom id="D-HEXOSE-6-PHOSPHATE-atom16" elementType="P" x2="825.0" y2="-2052.0"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond1" atomRefs="D-HEXOSE-6-PHOSPHATE-atom14 D-HEXOSE-6-PHOSPHATE-atom15" order="1"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond2" atomRefs="D-HEXOSE-6-PHOSPHATE-atom13 D-HEXOSE-6-PHOSPHATE-atom14" order="1"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond3" atomRefs="D-HEXOSE-6-PHOSPHATE-atom12 D-HEXOSE-6-PHOSPHATE-atom13" order="1"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond4" atomRefs="D-HEXOSE-6-PHOSPHATE-atom11 D-HEXOSE-6-PHOSPHATE-atom12" order="1"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond5" atomRefs="D-HEXOSE-6-PHOSPHATE-atom10 D-HEXOSE-6-PHOSPHATE-atom15" order="1"/> <bond id="D-HEXOSE-6-PHOSPHATE-bond6" atomRefs="D-HEXOSE-6-PHOSPHATE-atom10 D-HEXOSE-6-PH…

biopax-level3ChemicalStructure155321
structure data: <atom id="Protein-fructosamines-atom1" elementType="O" x2="418.0" y2="761.0"/> <atom id="Protein-fructosamines-atom2" elementType="C" x2="489.0" y2="719.0"/> <atom id="Protein-fructosamines-atom3" elementType="C" x2="560.0" y2="761.0"/> <atom id="Protein-fructosamines-atom4" elementType="C" x2="632.0" y2="719.0"/> <atom id="Protein-fructosamines-atom5" elementType="C" x2="703.0" y2="761.0"/> <atom id="Protein-fructosamines-atom6" elementType="C" x2="775.0" y2="719.0"/> <atom id="Protein-fructosamines-atom7" elementType="C" x2="846.0" y2="761.0"/> <atom id="Protein-fructosamines-atom8" elementType="N" x2="918.0" y2="719.0" formalCharge="1"/> <atom id="Protein-fructosamines-atom9" elementType="C" x2="989.0" y2="761.0"/> <atom id="Protein-fructosamines-atom10" elementType="C" x2="1061.0" y2="719.0"/> <atom id="Protein-fructosamines-atom11" elementType="C" x2="1132.0" y2="761.0"/> <atom id="Protein-fructosamines-atom12" elementType="C" x2="1203.0" y2="719.0"/> <atom id="Protein-fructosamines-atom13" elementType="C" x2="1275.0" y2="761.0"/> <atom id="Protein-fructosamines-atom14" elementType="C" x2="1346.0" y2="719.0"/> <atom id="Protein-fructosamines-atom15" elementType="O" x2="1418.0" y2="761.0"/> <atom id="Protein-fructosamines-atom16" elementType="General-Protein-Substrates" x2="1347.0" y2="601.0"/> <atom id="Protein-fructosamines-atom17" elementType="O" x2="560.0" y2="843.0"/> <atom id="Protein-fructosamines-atom18" elementType="O" x2="632.0" y2="637.0"/> <atom id="Protein-fructosamines-atom19" elementType="O" x2="703.0" y2="843.0"/> <atom id="Protein-fructosamines-atom20" elementType="O" x2="775.0" y2="637.0"/> <atom id="Protein-fructosamines-atom21" elementType="N" x2="1275.0" y2="843.0"/> <atom id="Protein-fructosamines-atom22" elementType="General-Protein-Substrates" x2="1275.0" y2="965.0"/> <bond id="Protein-fructosamines-bond1" atomRefs="Protein-fructosamines-atom1 Protein-fructosamines-atom2" order="1"/> <bond id="Protein-fructosamines-bond2" atomRefs="Protei…

CHEBI CHEBI:40265
structure data: InChI%3D1S%2FC40H80NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39%2842%2946-36-38%2837-48-50%2844%2C45%2947-35-34-41%283%2C4%295%2949-40%2843%2933-31-29-27-25-23-21-19-17-15-13-11-9-7-2%2Fh38H%2C6-37H2%2C1-5H3%2Fp%2B1%2Ft38-%2Fm1%2Fs1

CHEBI CHEBI:48946
structure data: InChI%3D1S%2FC5H10O2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3%2C%28H%2C6%2C7%29%2Fp-1

CHEBI CHEBI:43219
structure data: InChI%3D1S%2FC9H16O2%2Fc1-2-3-4-6-9%2811%297-5-8-10%2Fh5%2C7-9%2C11H%2C2-4%2C6H2%2C1H3%2Fb7-5%2B%2Ft9-%2Fm1%2Fs1

CHEBI CHEBI:30823
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb10-9-

biopax-level3ChemicalStructure138256
structure data: <cml> <molecule id="CPD-11500" title="a [protein] 4-carboxy-L-glutamate" formalCharge="0" dictRef="dictCPD-11500"> <atomArray> <atom id="CPD-11500-atom1" elementType="Protein" x2="-10159.0" y2="-4634.0"/> <atom id="CPD-11500-atom2" elementType="C" x2="-3014.0" y2="-8759.0"/> <atom id="CPD-11500-atom3" elementType="C" x2="4130.0" y2="-4634.0"/> <atom id="CPD-11500-atom4" elementType="C" x2="11275.0" y2="-8759.0"/> <atom id="CPD-11500-atom5" elementType="C" x2="18419.0" y2="-4634.0"/> <atom id="CPD-11500-atom6" elementType="C" x2="25564.0" y2="-8759.0"/> <atom id="CPD-11500-atom7" elementType="O" x2="32708.0" y2="-4634.0"/> <atom id="CPD-11500-atom8" elementType="O" x2="-3014.0" y2="-17008.0"/> <atom id="CPD-11500-atom9" elementType="N" x2="4130.0" y2="3616.0"/> <atom id="CPD-11500-atom10" elementType="Protein" x2="-3014.0" y2="7741.0"/> <atom id="CPD-11500-atom11" elementType="O" x2="25564.0" y2="-17008.0"/> <atom id="CPD-11500-atom12" elementType="C" x2="18419.0" y2="3616.0"/> <atom id="CPD-11500-atom13" elementType="O" x2="11275.0" y2="7741.0"/> <atom id="CPD-11500-atom14" elementType="O" x2="25564.0" y2="7741.0"/> </atomArray> <bondArray> <bond id="CPD-11500-bond1" atomRefs="CPD-11500-atom1 CPD-11500-atom2" order="1"/> <bond id="CPD-11500-bond2" atomRefs="CPD-11500-atom2 CPD-11500-atom3" order="1"/> <bond id="CPD-11500-bond3" atomRefs="CPD-11500-atom3 CPD-11500-atom4" order="1"/> <bond id="CPD-11500-bond4" atomRefs="CPD-11500-atom4 CPD-11500-atom5" order="1"/> <bond id="CPD-11500-bond5" atomRefs="CPD-11500-atom5 CPD-11500-atom6" order="1"/> <bond id="CPD-11500-bond6" atomRefs="CPD-11500-atom6 CPD-11500-atom7" order="1"/> <bond id="CPD-11500-bond7" atomRefs="CPD-11500-atom2 CPD-11500-atom8" order="2"/> <bond id="CPD-11500-bond8" atomRefs="CPD-11500-atom3 CPD-11500-atom9" order="1"/> <bond id="CPD-11500-bond9" atomRefs="CPD-11500-atom9 CPD-11500-atom10" order="1"/> <bond id="CPD-11500-bond10" atomRefs="CPD-11500-atom6 CPD-11500-atom11" order="2"/> <bond id="CPD-1150…

CHEBI CHEBI:32663
structure data: InChI%3D1S%2FC32H37NO7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2939-20-19-33%282%2C3%2931-29%2836%2927%2834%2928%2835%2930%2840-31%2932%2837%2938%2Fh5-18%2C27-31%2C34-36H%2C4%2C19-20H2%2C1-3H3%2Fp%2B1%2Fb26-25-%2Ft27-%2C28-%2C29%2B%2C30-%2C31%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure142417
structure data: <cml> <molecule id="Protein-L-serines" title="a [protein]-L-serine" formalCharge="0" dictRef="dictProtein-L-serines"> <atomArray> <atom id="Protein-L-serines-atom1" elementType="O" x2="26741.0" y2="-15322.0"/> <atom id="Protein-L-serines-atom2" elementType="C" x2="19597.0" y2="-11197.0"/> <atom id="Protein-L-serines-atom3" elementType="C" x2="12452.0" y2="-15322.0"/> <atom id="Protein-L-serines-atom4" elementType="C" x2="5308.0" y2="-11197.0"/> <atom id="Protein-L-serines-atom5" elementType="N" x2="-1836.0" y2="-15322.0"/> <atom id="Protein-L-serines-atom6" elementType="Protein" x2="-8978.0" y2="-11197.0"/> <atom id="Protein-L-serines-atom7" elementType="N" x2="12452.0" y2="-23568.0"/> <atom id="Protein-L-serines-atom8" elementType="C" x2="5308.0" y2="-27693.0"/> <atom id="Protein-L-serines-atom9" elementType="O" x2="5308.0" y2="-35943.0"/> <atom id="Protein-L-serines-atom10" elementType="Protein" x2="-1836.0" y2="-23568.0"/> <atom id="Protein-L-serines-atom11" elementType="O" x2="5308.0" y2="-2947.0"/> </atomArray> <bondArray> <bond id="Protein-L-serines-bond1" atomRefs="Protein-L-serines-atom1 Protein-L-serines-atom2" order="1"/> <bond id="Protein-L-serines-bond2" atomRefs="Protein-L-serines-atom2 Protein-L-serines-atom3" order="1"/> <bond id="Protein-L-serines-bond3" atomRefs="Protein-L-serines-atom3 Protein-L-serines-atom4" order="1"/> <bond id="Protein-L-serines-bond4" atomRefs="Protein-L-serines-atom4 Protein-L-serines-atom5" order="1"/> <bond id="Protein-L-serines-bond5" atomRefs="Protein-L-serines-atom5 Protein-L-serines-atom6" order="1"/> <bond id="Protein-L-serines-bond6" atomRefs="Protein-L-serines-atom3 Protein-L-serines-atom7" order="1"/> <bond id="Protein-L-serines-bond7" atomRefs="Protein-L-serines-atom7 Protein-L-serines-atom8" order="1"/> <bond id="Protein-L-serines-bond8" atomRefs="Protein-L-serines-atom8 Protein-L-serines-atom9" order="2"/> <bond id="Protein-L-serines-bond9" atomRefs="Protein-L-serines-atom8 Protein-L-serines-atom10" order="1"/> <…

biopax-level3ChemicalStructure160354
structure data: <atom id="CPD-11409-atom1" elementType="C" x2="15321.0" y2="-25928.0"/> <atom id="CPD-11409-atom2" elementType="C" x2="8177.0" y2="-21803.0"/> <atom id="CPD-11409-atom3" elementType="C" x2="8177.0" y2="-13553.0"/> <atom id="CPD-11409-atom4" elementType="C" x2="15321.0" y2="-9428.0"/> <atom id="CPD-11409-atom5" elementType="C" x2="22465.0" y2="-13553.0"/> <atom id="CPD-11409-atom6" elementType="C" x2="22465.0" y2="-21803.0"/> <atom id="CPD-11409-atom7" elementType="O" x2="1032.0" y2="-9429.0"/> <atom id="CPD-11409-atom8" elementType="C" x2="1032.0" y2="-1179.0"/> <atom id="CPD-11409-atom9" elementType="C" x2="-6113.0" y2="2947.0"/> <atom id="CPD-11409-atom10" elementType="C" x2="-6113.0" y2="11197.0"/> <atom id="CPD-11409-atom11" elementType="C" x2="1032.0" y2="15322.0"/> <atom id="CPD-11409-atom12" elementType="C" x2="8177.0" y2="11197.0"/> <atom id="CPD-11409-atom13" elementType="C" x2="8177.0" y2="2947.0"/> <atom id="CPD-11409-atom14" elementType="C" x2="1032.0" y2="23571.0"/> <atom id="CPD-11409-atom15" elementType="C" x2="-5474.0" y2="28644.0"/> <atom id="CPD-11409-atom16" elementType="O" x2="-4333.0" y2="36815.0" formalCharge="-1"/> <atom id="CPD-11409-atom17" elementType="O" x2="-13120.0" y2="25547.0"/> <atom id="CPD-11409-atom18" elementType="O" x2="29610.0" y2="-25928.0"/> <atom id="CPD-11409-atom19" elementType="I" x2="15321.0" y2="-34178.0"/> <atom id="CPD-11409-atom20" elementType="I" x2="29610.0" y2="-9429.0"/> <atom id="CPD-11409-atom21" elementType="I" x2="15321.0" y2="-1178.0"/> <atom id="CPD-11409-atom22" elementType="I" x2="-13257.0" y2="-1178.0"/> <atom id="CPD-11409-atom23" elementType="C" x2="36401.0" y2="-30613.0"/> <atom id="CPD-11409-atom24" elementType="C" x2="43546.0" y2="-42988.0"/> <atom id="CPD-11409-atom25" elementType="C" x2="36401.0" y2="-38863.0"/> <atom id="CPD-11409-atom26" elementType="O" x2="43546.0" y2="-26488.0"/> <atom id="CPD-11409-atom27" elementType="C" x2="50690.0" y2="-30613.0"/> <atom id="CPD-11409-atom28" elementType="C"…

CHEBI CHEBI:35677
structure data: InChI%3D1S%2FC8H12N2%2Fc1-9-7-5-8-4-2-3-6-10-8%2Fh2-4%2C6%2C9H%2C5%2C7H2%2C1H3

biopax-level3ChemicalStructure170178
structure data: <atom id="CPD-10481-atom1" elementType="C" x2="-31526.0" y2="6187.0"/> <atom id="CPD-10481-atom2" elementType="C" x2="-38670.0" y2="10312.0"/> <atom id="CPD-10481-atom3" elementType="C" x2="-38670.0" y2="18562.0"/> <atom id="CPD-10481-atom4" elementType="C" x2="-31526.0" y2="22687.0"/> <atom id="CPD-10481-atom5" elementType="C" x2="-24381.0" y2="18562.0"/> <atom id="CPD-10481-atom6" elementType="C" x2="-24381.0" y2="10312.0"/> <atom id="CPD-10481-atom7" elementType="C" x2="-17236.0" y2="6187.0"/> <atom id="CPD-10481-atom8" elementType="C" x2="-17236.0" y2="22687.0"/> <atom id="CPD-10481-atom9" elementType="C" x2="-10093.0" y2="18562.0"/> <atom id="CPD-10481-atom10" elementType="C" x2="-10093.0" y2="10312.0"/> <atom id="CPD-10481-atom11" elementType="C" x2="-10093.0" y2="-6188.0"/> <atom id="CPD-10481-atom12" elementType="C" x2="-17236.0" y2="-2063.0"/> <atom id="CPD-10481-atom13" elementType="C" x2="4898.0" y2="-4612.0"/> <atom id="CPD-10481-atom14" elementType="C" x2="-2948.0" y2="-2063.0"/> <atom id="CPD-10481-atom15" elementType="C" x2="-2948.0" y2="6187.0"/> <atom id="CPD-10481-atom16" elementType="C" x2="4898.0" y2="8737.0"/> <atom id="CPD-10481-atom17" elementType="C" x2="9747.0" y2="2063.0"/> <atom id="CPD-10481-atom18" elementType="C" x2="4889.0" y2="-12862.0"/> <atom id="CPD-10481-atom19" elementType="C" x2="12034.0" y2="-16986.0"/> <atom id="CPD-10481-atom20" elementType="C" x2="19177.0" y2="-12862.0"/> <atom id="CPD-10481-atom21" elementType="C" x2="26322.0" y2="-16986.0"/> <atom id="CPD-10481-atom22" elementType="C" x2="33467.0" y2="-12862.0"/> <atom id="CPD-10481-atom23" elementType="C" x2="40611.0" y2="-16986.0"/> <atom id="CPD-10481-atom24" elementType="C" x2="33467.0" y2="-4612.0"/> <atom id="CPD-10481-atom25" elementType="O" x2="26322.0" y2="-25236.0"/> <atom id="CPD-10481-atom26" elementType="C" x2="-2258.0" y2="-16982.0"/> <atom id="CPD-10481-atom27" elementType="C" x2="-3352.0" y2="-10304.0"/> <atom id="CPD-10481-atom28" elementType="C" x2="-2470…

CHEBI CHEBI:30915
structure data: InChI%3D1S%2FC5H6O5%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29

CHEBI CHEBI:16084
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-2-6%2810%295%289%294%288%293%2815-6%291-14-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft3-%2C4-%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:59429
structure data: InChI%3D1S%2FC30H49N5O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27%2837%2925%2823-36%2932-28%2838%2919-16-14-17-22-31-24-20-21-26%2835%2839%2940%2930-29%2824%2933-41-34-30%2Fh15%2C18%2C20-21%2C25%2C27%2C31%2C36-37H%2C2-14%2C16-17%2C19%2C22-23H2%2C1H3%2C%28H%2C32%2C38%29%2Fb18-15%2B%2Ft25-%2C27%2B%2Fm0%2Fs1

CHEBI CHEBI:17140
structure data: InChI%3D1S%2FC5H10O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3%2C5-8%2C10H%2C1-2H2%2Ft3-%2C5%2B%2Fm1%2Fs1

CHEBI CHEBI:18168
structure data: InChI%3D1S%2FC20H38O3%2Fc1-15%282%299-6-10-16%283%2911-7-12-17%284%2913-8-14-18%285%2919%2821%2920%2822%2923%2Fh15-18H%2C6-14H2%2C1-5H3%2C%28H%2C22%2C23%29

CHEBI CHEBI:18147
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11-%2C12-%2Fm1%2Fs1

biopax-level3ChemicalStructure158756
structure data: <cml> <molecule id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA" title="alpha-N-acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R" formalCharge="0" dictRef="dictALPHA-N-ACETYLNEURAMINYL-28-ETCETERA"> <atomArray> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom1" elementType="C" x2="5050.0" y2="-386820.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom2" elementType="C" x2="806800.0" y2="0.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom3" elementType="O" x2="242780.0" y2="-322020.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom4" elementType="O" x2="572390.0" y2="-60020.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom5" elementType="O" x2="744030.0" y2="-866440.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom6" elementType="O" x2="1216750.0" y2="-158880.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom7" elementType="O" x2="1030.0" y2="-1118560.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom8" elementType="O" x2="1517180.0" y2="-1004530.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom9" elementType="O" x2="1009170.0" y2="-777290.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom10" elementType="O" x2="605560.0" y2="-1006230.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom11" elementType="O" x2="1347940.0" y2="-353940.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom12" elementType="O" x2="0.0" y2="-978560.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom13" elementType="O" x2="382490.0" y2="-418560.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom14" elementType="O" x2="924920.0" y2="-63380.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom15" elementType="O" x2="0.0" y2="-838560.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom16" elementType="O" x2="1168170.0" y2="-681710.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom17" elementType="O" x2="628840.0" y2="-536290.0"/> <atom id="ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA-atom18" elementTy…

CHEBI CHEBI:16638
structure data: InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

biopax-level3ChemicalStructure148437
structure data: <atom id="DITHIO-NITROBENZOATE-atom1" elementType="O" x2="5716.0" y2="0.0"/> <atom id="DITHIO-NITROBENZOATE-atom2" elementType="O" x2="1429.0" y2="-6600.0"/> <atom id="DITHIO-NITROBENZOATE-atom3" elementType="O" x2="7144.0" y2="-1650.0" formalCharge="-1"/> <atom id="DITHIO-NITROBENZOATE-atom4" elementType="O" x2="6430.0" y2="-412.0"/> <atom id="DITHIO-NITROBENZOATE-atom5" elementType="O" x2="0.0" y2="-4950.0" formalCharge="-1"/> <atom id="DITHIO-NITROBENZOATE-atom6" elementType="O" x2="714.0" y2="-6188.0"/> <atom id="DITHIO-NITROBENZOATE-atom7" elementType="O" x2="4287.0" y2="0.0" formalCharge="-1"/> <atom id="DITHIO-NITROBENZOATE-atom8" elementType="O" x2="2858.0" y2="-6600.0" formalCharge="-1"/> <atom id="DITHIO-NITROBENZOATE-atom9" elementType="C" x2="5001.0" y2="-2888.0"/> <atom id="DITHIO-NITROBENZOATE-atom10" elementType="C" x2="2143.0" y2="-3712.0"/> <atom id="DITHIO-NITROBENZOATE-atom11" elementType="C" x2="5716.0" y2="-2475.0"/> <atom id="DITHIO-NITROBENZOATE-atom12" elementType="C" x2="1429.0" y2="-4125.0"/> <atom id="DITHIO-NITROBENZOATE-atom13" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="DITHIO-NITROBENZOATE-atom14" elementType="C" x2="2858.0" y2="-4950.0"/> <atom id="DITHIO-NITROBENZOATE-atom15" elementType="S" x2="3572.0" y2="-2888.0"/> <atom id="DITHIO-NITROBENZOATE-atom16" elementType="S" x2="3572.0" y2="-3712.0"/> <atom id="DITHIO-NITROBENZOATE-atom17" elementType="C" x2="5001.0" y2="-412.0"/> <atom id="DITHIO-NITROBENZOATE-atom18" elementType="C" x2="2143.0" y2="-6188.0"/> <atom id="DITHIO-NITROBENZOATE-atom19" elementType="C" x2="4287.0" y2="-2475.0"/> <atom id="DITHIO-NITROBENZOATE-atom20" elementType="C" x2="2858.0" y2="-4125.0"/> <atom id="DITHIO-NITROBENZOATE-atom21" elementType="C" x2="5001.0" y2="-1238.0"/> <atom id="DITHIO-NITROBENZOATE-atom22" elementType="C" x2="2143.0" y2="-5362.0"/> <atom id="DITHIO-NITROBENZOATE-atom23" elementType="C" x2="5716.0" y2="-1650.0"/> <atom id="DITHIO-NITROBENZOATE-atom24" elementType="C" x2="1429.0…

CHEBI CHEBI:17768
structure data: InChI%3D1S%2FC6H14N2O%2Fc1-6%289%298-5-3-2-4-7%2Fh2-5%2C7H2%2C1H3%2C%28H%2C8%2C9%29

CHEBI CHEBI:17314
structure data: InChI%3D1S%2FC22H44O3%2Fc1-2-3-4-5-9-12-15-18-21%2823%2919-16-13-10-7-6-8-11-14-17-20-22%2824%2925%2Fh21%2C23H%2C2-20H2%2C1H3%2C%28H%2C24%2C25%29

biopax-level3ChemicalStructure144170
structure data: <cml> <molecule id="Heparan-Sulfate" title="heparan sulfate" formalCharge="-2" dictRef="dictHeparan-Sulfate"> <atomArray> <atom id="Heparan-Sulfate-atom1" elementType="S" x2="1230.0" y2="1519.0"/> <atom id="Heparan-Sulfate-atom2" elementType="O" x2="1570.0" y2="1003.0"/> <atom id="Heparan-Sulfate-atom3" elementType="O" x2="1413.0" y2="1008.0"/> <atom id="Heparan-Sulfate-atom4" elementType="O" x2="1239.0" y2="1191.0"/> <atom id="Heparan-Sulfate-atom5" elementType="O" x2="1413.0" y2="1256.0"/> <atom id="Heparan-Sulfate-atom6" elementType="O" x2="1064.0" y2="1208.0"/> <atom id="Heparan-Sulfate-atom7" elementType="O" x2="1230.0" y2="1431.0"/> <atom id="Heparan-Sulfate-atom8" elementType="O" x2="921.0" y2="1373.0"/> <atom id="Heparan-Sulfate-atom9" elementType="O" x2="1064.0" y2="1457.0"/> <atom id="Heparan-Sulfate-atom10" elementType="O" x2="1197.0" y2="1049.0"/> <atom id="Heparan-Sulfate-atom11" elementType="O" x2="922.0" y2="1126.0"/> <atom id="Heparan-Sulfate-atom12" elementType="O" x2="849.0" y2="1250.0"/> <atom id="Heparan-Sulfate-atom13" elementType="O" x2="1230.0" y2="1607.0" formalCharge="-1"/> <atom id="Heparan-Sulfate-atom14" elementType="O" x2="1319.0" y2="1519.0"/> <atom id="Heparan-Sulfate-atom15" elementType="O" x2="1143.0" y2="1519.0"/> <atom id="Heparan-Sulfate-atom16" elementType="C" x2="1413.0" y2="1173.0"/> <atom id="Heparan-Sulfate-atom17" elementType="C" x2="1484.0" y2="1131.0"/> <atom id="Heparan-Sulfate-atom18" elementType="C" x2="1340.0" y2="1131.0"/> <atom id="Heparan-Sulfate-atom19" elementType="C" x2="1484.0" y2="1049.0"/> <atom id="Heparan-Sulfate-atom20" elementType="C" x2="1340.0" y2="1049.0"/> <atom id="Heparan-Sulfate-atom21" elementType="C" x2="1136.0" y2="1250.0"/> <atom id="Heparan-Sulfate-atom22" elementType="C" x2="1136.0" y2="1332.0"/> <atom id="Heparan-Sulfate-atom23" elementType="C" x2="1064.0" y2="1373.0"/> <atom id="Heparan-Sulfate-atom24" elementType="C" x2="993.0" y2="1332.0"/> <atom id="Heparan-Sulfate-atom25" elementType="C"…

CHEBI CHEBI:45487
structure data: InChI%3D1S%2FC20H28O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C15H%2C7%2C10%2C14H2%2C1-5H3%2Fb9-6%2B%2C12-11%2B%2C16-8%2B%2C17-13-

biopax-level3ChemicalStructure143240
structure data: <atom id="CPD-13559-atom1" elementType="O" x2="24638.0" y2="-5210.0"/> <atom id="CPD-13559-atom2" elementType="C" x2="17493.0" y2="-1085.0"/> <atom id="CPD-13559-atom3" elementType="C" x2="17493.0" y2="7165.0"/> <atom id="CPD-13559-atom4" elementType="C" x2="24638.0" y2="11290.0"/> <atom id="CPD-13559-atom5" elementType="C" x2="31782.0" y2="7165.0"/> <atom id="CPD-13559-atom6" elementType="C" x2="31782.0" y2="-1085.0"/> <atom id="CPD-13559-atom7" elementType="O" x2="38927.0" y2="-5210.0"/> <atom id="CPD-13559-atom8" elementType="O" x2="38927.0" y2="11290.0"/> <atom id="CPD-13559-atom9" elementType="O" x2="24638.0" y2="19540.0"/> <atom id="CPD-13559-atom10" elementType="O" x2="10348.0" y2="11290.0"/> <atom id="CPD-13559-atom11" elementType="C" x2="10348.0" y2="-5210.0"/> <atom id="CPD-13559-atom12" elementType="O" x2="3204.0" y2="-1085.0"/> <bond id="CPD-13559-bond1" atomRefs="CPD-13559-atom1 CPD-13559-atom2" order="1"/> <bond id="CPD-13559-bond2" atomRefs="CPD-13559-atom2 CPD-13559-atom3" order="1"/> <bond id="CPD-13559-bond3" atomRefs="CPD-13559-atom3 CPD-13559-atom4" order="1"/> <bond id="CPD-13559-bond4" atomRefs="CPD-13559-atom4 CPD-13559-atom5" order="1"/> <bond id="CPD-13559-bond5" atomRefs="CPD-13559-atom5 CPD-13559-atom6" order="1"/> <bond id="CPD-13559-bond6" atomRefs="CPD-13559-atom1 CPD-13559-atom6" order="1"/> <bond id="CPD-13559-bond7" atomRefs="CPD-13559-atom6 CPD-13559-atom7" order="1"/> <bond id="CPD-13559-bond8" atomRefs="CPD-13559-atom5 CPD-13559-atom8" order="1"/> <bond id="CPD-13559-bond9" atomRefs="CPD-13559-atom4 CPD-13559-atom9" order="1"/> <bond id="CPD-13559-bond10" atomRefs="CPD-13559-atom3 CPD-13559-atom10" order="1"/> <bond id="CPD-13559-bond11" atomRefs="CPD-13559-atom2 CPD-13559-atom11" order="1"/> <bond id="CPD-13559-bond12" atomRefs="CPD-13559-atom11 CPD-13559-atom12" order="1"/> <formula concise="H 12 C 6 O 6"/> 180.157 C(O)C1(C(O)C(O)C(O)C(O)O1)

CHEBI CHEBI:58144
structure data: InChI%3D1S%2FC19H23NO4%2Fc1-20-7-6-13-10-19%2824-3%2917%2822%2911-14%2813%2915%2820%298-12-4-5-18%2823-2%2916%2821%299-12%2Fh4-5%2C9-11%2C15%2C21-22H%2C6-8H2%2C1-3H3%2Fp%2B1%2Ft15-%2Fm1%2Fs1

CHEBI CHEBI:63867
structure data: InChI%3D1S%2FC24H47NO3%2Fc1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23%2827%2922%2821-26%2925-24%2828%2920-17-6-4-2%2Fh18-19%2C22-23%2C26-27H%2C3-17%2C20-21H2%2C1-2H3%2C%28H%2C25%2C28%29%2Fb19-18%2B%2Ft22-%2C23%2B%2Fm0%2Fs1

CHEBI CHEBI:59513
structure data: InChI%3D1S%2FC6H7O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-8%2C10H%2C1H2%2Fp-1%2Ft2-%2C5%2B%2Fm0%2Fs1

CHEBI CHEBI:30841
structure data: InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)

CHEBI CHEBI:58828
structure data: InChI%3D1S%2FC6H11O6PS%2Fc1-14-3-2-5%287%296%288%294-12-13%289%2C10%2911%2Fh2-4H2%2C1H3%2C%28H2%2C9%2C10%2C11%29%2Fp-2

CHEBI CHEBI:46195
structure data: InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29

CHEBI CHEBI:28487
structure data: InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%2B%2C24-%2C27-%2C28%2B%2C31%2B%2Fm1%2Fs1

CHEBI CHEBI:28645
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-3-4%289%295%2810%296%2811%2C2-8%2912-3%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:49268
structure data: InChI%3D1S%2FC5H9NO3%2Fc6-3-1-2-4%287%295%288%299%2Fh1-3%2C6H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:31001
structure data: InChI%3D1S%2FC28H56O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28%2829%2930%2Fh2-27H2%2C1H3%2C%28H%2C29%2C30%29

CHEBI CHEBI:28918
structure data: InChI%3D1S%2FC9H13NO3%2Fc1-10-5-9%2813%296-2-3-7%2811%298%2812%294-6%2Fh2-4%2C9-13H%2C5H2%2C1H3%2Ft9-%2Fm0%2Fs1

CHEBI CHEBI:63916
structure data: InChI%3D1S%2FC22H32O4%2Fc1-3-4-7-15%282%2920%2823%2911-10-18-19-13-16%288-5-6-9-22%2825%2926%2912-17%2819%2914-21%2818%2924%2Fh8%2C10-11%2C15%2C17-21%2C23-24H%2C5-7%2C9%2C12-14H2%2C1-2H3%2C%28H%2C25%2C26%29%2Fb11-10%2B%2C16-8%2B%2Ft15%3F%2C17-%2C18%2B%2C19-%2C20%2B%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure147794
structure data: <cml> <molecule id="CPD-1119" title="an N-acylneuraminate" formalCharge="-1" dictRef="dictCPD-1119"> <atomArray> <atom id="CPD-1119-atom1" elementType="C" x2="-5895.0" y2="-5688.0"/> <atom id="CPD-1119-atom2" elementType="C" x2="-5895.0" y2="2563.0"/> <atom id="CPD-1119-atom3" elementType="C" x2="1250.0" y2="6688.0"/> <atom id="CPD-1119-atom4" elementType="C" x2="8395.0" y2="2563.0"/> <atom id="CPD-1119-atom5" elementType="C" x2="8395.0" y2="-5688.0"/> <atom id="CPD-1119-atom6" elementType="O" x2="1250.0" y2="-9813.0"/> <atom id="CPD-1119-atom7" elementType="C" x2="-13039.0" y2="-9813.0"/> <atom id="CPD-1119-atom8" elementType="C" x2="-20183.0" y2="-5687.0"/> <atom id="CPD-1119-atom9" elementType="O" x2="1250.0" y2="14938.0"/> <atom id="CPD-1119-atom10" elementType="N" x2="-13039.0" y2="6688.0"/> <atom id="CPD-1119-atom11" elementType="C" x2="-13039.0" y2="14938.0"/> <atom id="CPD-1119-atom12" elementType="R" x2="-20183.0" y2="19062.0"/> <atom id="CPD-1119-atom13" elementType="O" x2="-5895.0" y2="19062.0"/> <atom id="CPD-1119-atom14" elementType="C" x2="-27328.0" y2="-9812.0"/> <atom id="CPD-1119-atom15" elementType="O" x2="-13039.0" y2="-18062.0"/> <atom id="CPD-1119-atom16" elementType="O" x2="-20183.0" y2="2563.0"/> <atom id="CPD-1119-atom17" elementType="O" x2="-34472.0" y2="-5687.0"/> <atom id="CPD-1119-atom18" elementType="O" x2="15539.0" y2="-9813.0"/> <atom id="CPD-1119-atom19" elementType="C" x2="15375.0" y2="-1291.0"/> <atom id="CPD-1119-atom20" elementType="O" x2="22674.0" y2="-5138.0"/> <atom id="CPD-1119-atom21" elementType="O" x2="15058.0" y2="6953.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="CPD-1119-bond1" atomRefs="CPD-1119-atom19 CPD-1119-atom20" order="2"/> <bond id="CPD-1119-bond2" atomRefs="CPD-1119-atom19 CPD-1119-atom21" order="1"/> <bond id="CPD-1119-bond3" atomRefs="CPD-1119-atom6 CPD-1119-atom1" order="1"/> <bond id="CPD-1119-bond4" atomRefs="CPD-1119-atom6 CPD-1119-atom5" order="1"/> <bond id="CPD-1119-bond5" atomRefs="CPD-111…

CHEBI CHEBI:18276
structure data: InChI%3D1S%2FH2%2Fh1H

biopax-level3ChemicalStructure169401
structure data: <atom id="CPD-8619-atom1" elementType="C" x2="88823.0" y2="-40976.0"/> <atom id="CPD-8619-atom2" elementType="C" x2="78203.0" y2="-31415.0"/> <atom id="CPD-8619-atom3" elementType="C" x2="48054.0" y2="-54225.0"/> <atom id="CPD-8619-atom4" elementType="C" x2="21433.0" y2="-33261.0"/> <atom id="CPD-8619-atom5" elementType="C" x2="44041.0" y2="-45903.0"/> <atom id="CPD-8619-atom6" elementType="O" x2="21744.0" y2="-358.0"/> <atom id="CPD-8619-atom7" elementType="O" x2="7459.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-8619-atom8" elementType="O" x2="0.0" y2="-12635.0"/> <atom id="CPD-8619-atom9" elementType="C" x2="75234.0" y2="-45392.0"/> <atom id="CPD-8619-atom10" elementType="C" x2="67164.0" y2="-43677.0"/> <atom id="CPD-8619-atom11" elementType="C" x2="35722.0" y2="-16761.0"/> <atom id="CPD-8619-atom12" elementType="C" x2="28890.0" y2="-37698.0"/> <atom id="CPD-8619-atom13" elementType="C" x2="61644.0" y2="-49807.0"/> <atom id="CPD-8619-atom14" elementType="C" x2="28577.0" y2="-12635.0"/> <atom id="CPD-8619-atom15" elementType="C" x2="51024.0" y2="-26899.0"/> <atom id="CPD-8619-atom16" elementType="C" x2="7144.0" y2="-25011.0"/> <atom id="CPD-8619-atom17" elementType="C" x2="55874.0" y2="-33573.0"/> <atom id="CPD-8619-atom18" elementType="C" x2="36034.0" y2="-41823.0"/> <atom id="CPD-8619-atom19" elementType="C" x2="14288.0" y2="-29136.0"/> <atom id="CPD-8619-atom20" elementType="C" x2="80754.0" y2="-39261.0"/> <atom id="CPD-8619-atom21" elementType="C" x2="14498.0" y2="-4303.0"/> <atom id="CPD-8619-atom22" elementType="C" x2="36034.0" y2="-25323.0"/> <atom id="CPD-8619-atom23" elementType="C" x2="28890.0" y2="-29448.0"/> <atom id="CPD-8619-atom24" elementType="C" x2="53575.0" y2="-48092.0"/> <atom id="CPD-8619-atom25" elementType="C" x2="7144.0" y2="-16761.0"/> <atom id="CPD-8619-atom26" elementType="C" x2="43179.0" y2="-29448.0"/> <atom id="CPD-8619-atom27" elementType="C" x2="51024.0" y2="-40246.0"/> <atom id="CPD-8619-atom28" elementType="C" x2="21433.0" y2="-1…

biopax-level3ChemicalStructure132511
structure data: <cml> <molecule id="DIPHTINE" title="diphthine in eEF-2" formalCharge="0" dictRef="dictDIPHTINE"> <atomArray> <atom id="DIPHTINE-atom1" elementType="C" x2="9517.0" y2="-4132.0"/> <atom id="DIPHTINE-atom2" elementType="C" x2="8733.0" y2="-3874.0"/> <atom id="DIPHTINE-atom3" elementType="C" x2="9685.0" y2="-4940.0"/> <atom id="DIPHTINE-atom4" elementType="N" x2="4059.0" y2="-1469.0"/> <atom id="DIPHTINE-atom5" elementType="eEF-2" x2="6193.0" y2="-1926.0"/> <atom id="DIPHTINE-atom6" elementType="O" x2="7838.0" y2="-6588.0"/> <atom id="DIPHTINE-atom7" elementType="O" x2="5505.0" y2="-673.0"/> <atom id="DIPHTINE-atom8" elementType="O" x2="9237.0" y2="-6298.0" formalCharge="-1"/> <atom id="DIPHTINE-atom9" elementType="C" x2="5216.0" y2="-3900.0"/> <atom id="DIPHTINE-atom10" elementType="C" x2="7333.0" y2="-4165.0"/> <atom id="DIPHTINE-atom11" elementType="C" x2="7503.0" y2="-4973.0"/> <atom id="DIPHTINE-atom12" elementType="C" x2="4750.0" y2="-2721.0"/> <atom id="DIPHTINE-atom13" elementType="N" x2="6298.0" y2="-3121.0"/> <atom id="DIPHTINE-atom14" elementType="N" x2="5880.0" y2="-4388.0"/> <atom id="DIPHTINE-atom15" elementType="C" x2="5487.0" y2="-1499.0"/> <atom id="DIPHTINE-atom16" elementType="C" x2="8453.0" y2="-6039.0"/> <atom id="DIPHTINE-atom17" elementType="C" x2="5474.0" y2="-3118.0"/> <atom id="DIPHTINE-atom18" elementType="C" x2="6550.0" y2="-3907.0"/> <atom id="DIPHTINE-atom19" elementType="C" x2="4764.0" y2="-1896.0"/> <atom id="DIPHTINE-atom20" elementType="C" x2="8285.0" y2="-5231.0"/> <atom id="DIPHTINE-atom21" elementType="N" x2="8901.0" y2="-4682.0" formalCharge="1"/> <atom id="DIPHTINE-atom22" elementType="eEF-2" x2="3344.0" y2="-1881.0"/> </atomArray> <bondArray> <bond id="DIPHTINE-bond1" atomRefs="DIPHTINE-atom20 DIPHTINE-atom21" order="1"/> <bond id="DIPHTINE-bond2" atomRefs="DIPHTINE-atom16 DIPHTINE-atom20" order="1"/> <bond id="DIPHTINE-bond3" atomRefs="DIPHTINE-atom15 DIPHTINE-atom19" order="1"/> <bond id="DIPHTINE-bond4" atomRefs="DIPHTINE-atom…

biopax-level3ChemicalStructure158814
structure data: <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom1" elementType="C" x2="5745.0" y2="-1296.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom2" elementType="O" x2="7142.0" y2="-1417.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom3" elementType="O" x2="0.0" y2="-1894.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom4" elementType="O" x2="2919.0" y2="-3740.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom5" elementType="O" x2="2402.0" y2="0.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom6" elementType="O" x2="893.0" y2="-666.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom7" elementType="O" x2="3734.0" y2="-975.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom8" elementType="O" x2="4985.0" y2="-1790.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom9" elementType="General-Glycoprotein-Substrates" x2="6402.0" y2="-5511.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom10" elementType="C" x2="715.0" y2="-2306.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom11" elementType="C" x2="3556.0" y2="-4265.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom12" elementType="N" x2="6414.0" y2="-2615.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom13" elementType="O" x2="6414.0" y2="-4265.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom14" elementType="O" x2="2135.0" y2="-2461.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom15" elementType="O" x2="4985.0" y2="-4265.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom16" elementType="O" x2="3556.0" y2="-2615.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom17" elementType="C" x2="6406.0" y2="-1790.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom18" elementType="C" x2="2314.0" y2="-820.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom19" elementType="C" x2="1559.0" y2="-1153.0"/> <atom id="B-D-Gal-14-B-D-NAcGln-Glglycopeptides-atom20" elementType="C" x2="2979.0" y2="-1308.0"/> <atom id="B…

biopax-level3ChemicalStructure167250
structure data: <atom id="CPD-8606-atom1" elementType="C" x2="8851.0" y2="-3215.0"/> <atom id="CPD-8606-atom2" elementType="C" x2="7789.0" y2="-2259.0"/> <atom id="CPD-8606-atom3" elementType="C" x2="4774.0" y2="-4540.0"/> <atom id="CPD-8606-atom4" elementType="C" x2="2143.0" y2="0.0"/> <atom id="CPD-8606-atom5" elementType="C" x2="714.0" y2="0.0"/> <atom id="CPD-8606-atom6" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="CPD-8606-atom7" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-8606-atom8" elementType="C" x2="4287.0" y2="-3712.0"/> <atom id="CPD-8606-atom9" elementType="O" x2="0.0" y2="-412.0"/> <atom id="CPD-8606-atom10" elementType="C" x2="7492.0" y2="-3657.0"/> <atom id="CPD-8606-atom11" elementType="C" x2="6685.0" y2="-3486.0"/> <atom id="CPD-8606-atom12" elementType="C" x2="3572.0" y2="-825.0"/> <atom id="CPD-8606-atom13" elementType="C" x2="2858.0" y2="-2888.0"/> <atom id="CPD-8606-atom14" elementType="C" x2="6133.0" y2="-4098.0"/> <atom id="CPD-8606-atom15" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="CPD-8606-atom16" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-8606-atom17" elementType="C" x2="5556.0" y2="-2475.0"/> <atom id="CPD-8606-atom18" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="CPD-8606-atom19" elementType="C" x2="3572.0" y2="-3300.0"/> <atom id="CPD-8606-atom20" elementType="C" x2="5071.0" y2="-1807.0"/> <atom id="CPD-8606-atom21" elementType="C" x2="8044.0" y2="-3044.0"/> <atom id="CPD-8606-atom22" elementType="C" x2="2858.0" y2="-2062.0"/> <atom id="CPD-8606-atom23" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-8606-atom24" elementType="C" x2="5327.0" y2="-3927.0"/> <atom id="CPD-8606-atom25" elementType="C" x2="714.0" y2="-825.0"/> <atom id="CPD-8606-atom26" elementType="C" x2="5071.0" y2="-3143.0"/> <atom id="CPD-8606-atom27" elementType="C" x2="2143.0" y2="-825.0"/> <atom id="CPD-8606-atom28" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-8606-atom29" elementType="C" x2="2143.0" y2="-1650.0"/>…

CHEBI CHEBI:17118
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh1%2C3-6%2C8-12H%2C2H2%2Ft3-%2C4%2B%2C5%2B%2C6-%2Fm0%2Fs1

CHEBI CHEBI:17173
structure data: InChI%3D1S%2FC5H10O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3%2C5-8%2C10H%2C1-2H2%2Ft3-%2C5-%2Fm1%2Fs1

biopax-level3ChemicalStructure174460
structure data: <atom id="CPD-12022-atom1" elementType="C" x2="-4420.0" y2="10312.0"/> <atom id="CPD-12022-atom2" elementType="C" x2="-11564.0" y2="14437.0"/> <atom id="CPD-12022-atom3" elementType="C" x2="-11564.0" y2="22687.0"/> <atom id="CPD-12022-atom4" elementType="C" x2="-4420.0" y2="26812.0"/> <atom id="CPD-12022-atom5" elementType="C" x2="2725.0" y2="22687.0"/> <atom id="CPD-12022-atom6" elementType="C" x2="2725.0" y2="14437.0"/> <atom id="CPD-12022-atom7" elementType="O" x2="9870.0" y2="26812.0"/> <atom id="CPD-12022-atom8" elementType="C" x2="9971.0" y2="35061.0"/> <atom id="CPD-12022-atom9" elementType="N" x2="-18708.0" y2="10312.0"/> <atom id="CPD-12022-atom10" elementType="C" x2="-25853.0" y2="14437.0"/> <atom id="CPD-12022-atom11" elementType="O" x2="-25856.0" y2="22686.0"/> <atom id="CPD-12022-atom12" elementType="C" x2="-4420.0" y2="2062.0"/> <atom id="CPD-12022-atom13" elementType="C" x2="2725.0" y2="-2063.0"/> <atom id="CPD-12022-atom14" elementType="C" x2="2725.0" y2="-10313.0"/> <atom id="CPD-12022-atom15" elementType="N" x2="9870.0" y2="-14438.0"/> <atom id="CPD-12022-atom16" elementType="C" x2="9870.0" y2="-22687.0"/> <atom id="CPD-12022-atom17" elementType="O" x2="-11564.0" y2="-2063.0"/> <atom id="CPD-12022-atom18" elementType="C" x2="17013.0" y2="-26812.0"/> <atom id="CPD-12022-atom19" elementType="O" x2="2725.0" y2="-26812.0"/> <bond id="CPD-12022-bond1" atomRefs="CPD-12022-atom1 CPD-12022-atom2" order="2"/> <bond id="CPD-12022-bond2" atomRefs="CPD-12022-atom2 CPD-12022-atom3" order="1"/> <bond id="CPD-12022-bond3" atomRefs="CPD-12022-atom3 CPD-12022-atom4" order="2"/> <bond id="CPD-12022-bond4" atomRefs="CPD-12022-atom4 CPD-12022-atom5" order="1"/> <bond id="CPD-12022-bond5" atomRefs="CPD-12022-atom5 CPD-12022-atom6" order="2"/> <bond id="CPD-12022-bond6" atomRefs="CPD-12022-atom1 CPD-12022-atom6" order="1"/> <bond id="CPD-12022-bond7" atomRefs="CPD-12022-atom5 CPD-12022-atom7" order="1"/> <bond id="CPD-12022-bond8" atomRefs="CPD-12022-atom7 CPD-12022-ato…

CHEBI CHEBI:57445
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818-14-20%2824-17%2925-18%2910-7-4-5-8-11-19%2822%2923%2Fh4%2C7%2C12-13%2C15-18%2C20-21H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%2B%2C18-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:29747
structure data: InChI%3D1S%2FC24H40O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-20%2C22%2C25-27H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Fp-1%2Ft13-%2C14%2B%2C15-%2C16-%2C17%2B%2C18%2B%2C19-%2C20%2B%2C22%2B%2C23%2B%2C24-%2Fm1%2Fs1

biopax-level3ChemicalStructure150450
structure data: <cml> <molecule id="Heparan-GlcN-6-N-bisulfate" title="[heparan sulfate]-alpha-D-N-sulfoglucosamine-6-O-sulfate" formalCharge="-2" dictRef="dictHeparan-GlcN-6-N-bisulfate"> <atomArray> <atom id="Heparan-GlcN-6-N-bisulfate-atom1" elementType="O" x2="-259290.0" y2="-106070.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom2" elementType="C" x2="-330730.0" y2="-64820.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom3" elementType="C" x2="-330730.0" y2="17680.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom4" elementType="C" x2="-259290.0" y2="58930.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom5" elementType="C" x2="-187840.0" y2="17680.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom6" elementType="C" x2="-187840.0" y2="-64820.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom7" elementType="O" x2="-116390.0" y2="-106070.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom8" elementType="N" x2="-129500.0" y2="76020.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom9" elementType="O" x2="-259290.0" y2="141430.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom10" elementType="O" x2="-402180.0" y2="58930.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom11" elementType="C" x2="-389070.0" y2="-123160.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom12" elementType="O" x2="-460520.0" y2="-81910.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom13" elementType="R1" x2="-116390.0" y2="-188570.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom14" elementType="R2" x2="-402180.0" y2="141430.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom15" elementType="S" x2="-47000.0" y2="76020.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom16" elementType="O" x2="35500.0" y2="76020.0" formalCharge="-1"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom17" elementType="O" x2="-47000.0" y2="-6480.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom18" elementType="O" x2="-47000.0" y2="158520.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom19" elementType="S" x2="-543020.0" y2="-81910.0"/> <atom id="Heparan-GlcN-6-N-bisulfate-atom20" elementType="O" x2="…

CHEBI CHEBI:50139
structure data: InChI%3D1S%2FC7H14O%2Fc1-3-5-6-7%288%294-2%2Fh3-6H2%2C1-2H3

CHEBI CHEBI:37270
structure data: InChI%3D1S%2FC14H26O3%2Fc1-2-3-4-5-6-7-8-9-10-11-13%2815%2912-14%2816%2917%2Fh2-12H2%2C1H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:29750
structure data: InChI%3D1S%2FC11H9NO3%2Fc13-10%2811%2814%2915%295-7-6-12-9-4-2-1-3-8%287%299%2Fh1-4%2C6%2C12H%2C5H2%2C%28H%2C14%2C15%29

CHEBI CHEBI:28813
structure data: InChI%3D1S%2FC11H14O4%2Fc1-14-9-6-8%284-3-5-12%297-10%2815-2%2911%289%2913%2Fh3-4%2C6-7%2C12-13H%2C5H2%2C1-2H3

CHEBI CHEBI:16300
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-2-3%287%294%288%295%2812-2%2913-14%289%2C10%2911%2Fh2-8H%2C1H2%2C%28H2%2C9%2C10%2C11%29%2Ft2-%2C3-%2C4-%2C5-%2Fm1%2Fs1

CHEBI CHEBI:17703
structure data: InChI%3D1S%2FC27H46O2%2Fc1-18%2817-28%296-5-7-19%282%2923-10-11-24-22-9-8-20-16-21%2829%2912-14-26%2820%2C3%2925%2822%2913-15-27%2823%2C24%294%2Fh8%2C18-19%2C21-25%2C28-29H%2C5-7%2C9-17H2%2C1-4H3%2Ft18%3F%2C19-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

biopax-level3ChemicalStructure158720
structure data: 4)-beta-D-glucosyl-(1<-->1)-ceramide" formalCharge="0" dictRef="dictLactosyl-Ceramides"> <atom id="Lactosyl-Ceramides-atom1" elementType="C" x2="0.0" y2="-91398.0"/> <atom id="Lactosyl-Ceramides-atom2" elementType="O" x2="81453.0" y2="-73340.0"/> <atom id="Lactosyl-Ceramides-atom3" elementType="O" x2="53217.0" y2="-26385.0"/> <atom id="Lactosyl-Ceramides-atom4" elementType="O" x2="74590.0" y2="-51705.0"/> <atom id="Lactosyl-Ceramides-atom5" elementType="O" x2="105766.0" y2="-78149.0"/> <atom id="Lactosyl-Ceramides-atom6" elementType="O" x2="77870.0" y2="0.0"/> <atom id="Lactosyl-Ceramides-atom7" elementType="O" x2="61591.0" y2="-3041.0"/> <atom id="Lactosyl-Ceramides-atom8" elementType="O" x2="88595.0" y2="-12737.0"/> <atom id="Lactosyl-Ceramides-atom9" elementType="O" x2="109969.0" y2="-38057.0"/> <atom id="Lactosyl-Ceramides-atom10" elementType="O" x2="99243.0" y2="-25320.0"/> <atom id="Lactosyl-Ceramides-atom11" elementType="R" x2="74292.0" y2="-61055.0"/> <atom id="Lactosyl-Ceramides-atom12" elementType="C" x2="91470.0" y2="-86399.0"/> <atom id="Lactosyl-Ceramides-atom13" elementType="C" x2="91482.0" y2="-78149.0"/> <atom id="Lactosyl-Ceramides-atom14" elementType="C" x2="7154.0" y2="-87280.0"/> <atom id="Lactosyl-Ceramides-atom15" elementType="C" x2="85726.0" y2="-91482.0"/> <atom id="Lactosyl-Ceramides-atom16" elementType="C" x2="56008.0" y2="-18624.0"/> <atom id="Lactosyl-Ceramides-atom17" elementType="C" x2="77382.0" y2="-43943.0"/> <atom id="Lactosyl-Ceramides-atom18" elementType="C" x2="14297.0" y2="-91410.0"/> <atom id="Lactosyl-Ceramides-atom19" elementType="C" x2="78590.0" y2="-87351.0"/> <atom id="Lactosyl-Ceramides-atom20" elementType="C" x2="21445.0" y2="-87292.0"/> <atom id="Lactosyl-Ceramides-atom21" elementType="C" x2="71441.0" y2="-91470.0"/> <atom id="Lactosyl-Ceramides-atom22" elementType="C" x2="28581.0" y2="-91422.0"/> <atom id="Lactosyl-Ceramides-atom23" elementType="C" x2="64299.0" y2="-87339.0"/> <atom id="Lactosyl-Ceramides-atom24" elemen…

CHEBI CHEBI:46704
structure data: InChI%3D1S%2FC9H16O7%2Fc1-4%2810%2915-3-5-6%2811%297%2812%298%2813%299%2814-2%2916-5%2Fh5-9%2C11-13H%2C3H2%2C1-2H3%2Ft5-%2C6%2B%2C7%2B%2C8-%2C9-%2Fm1%2Fs1

CHEBI CHEBI:50518
structure data: InChI%3D1S%2FC27H46O3%2Fc1-16%282%2923%2829%299-6-17%283%2920-7-8-21-25-22%2811-13-27%2820%2C21%295%2926%284%2912-10-19%2828%2914-18%2826%2915-24%2825%2930%2Fh15-17%2C19-25%2C28-30H%2C6-14H2%2C1-5H3%2Ft17-%2C19%2B%2C20-%2C21%2B%2C22%2B%2C23-%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:2549
structure data: InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3

biopax-level3ChemicalStructure149109
structure data: <cml> <molecule id="Steryl-Esters" title="a steryl-ester" formalCharge="0" dictRef="dictSteryl-Esters"> <atomArray> <atom id="Steryl-Esters-atom1" elementType="C" x2="9700.0" y2="-5600.0"/> <atom id="Steryl-Esters-atom2" elementType="C" x2="6054.0" y2="-3500.0"/> <atom id="Steryl-Esters-atom3" elementType="O" x2="1212.0" y2="-2100.0"/> <atom id="Steryl-Esters-atom4" elementType="R" x2="0.0" y2="0.0"/> <atom id="Steryl-Esters-atom5" elementType="R" x2="11464.0" y2="-5964.0"/> <atom id="Steryl-Esters-atom6" elementType="C" x2="11854.0" y2="-3500.0"/> <atom id="Steryl-Esters-atom7" elementType="C" x2="3637.0" y2="-2100.0"/> <atom id="Steryl-Esters-atom8" elementType="C" x2="7275.0" y2="0.0"/> <atom id="Steryl-Esters-atom9" elementType="C" x2="8487.0" y2="-700.0"/> <atom id="Steryl-Esters-atom10" elementType="C" x2="11031.0" y2="-2367.0"/> <atom id="Steryl-Esters-atom11" elementType="C" x2="7275.0" y2="-4200.0"/> <atom id="Steryl-Esters-atom12" elementType="C" x2="4850.0" y2="-2800.0"/> <atom id="Steryl-Esters-atom13" elementType="C" x2="8487.0" y2="-4900.0"/> <atom id="Steryl-Esters-atom14" elementType="C" x2="4850.0" y2="0.0"/> <atom id="Steryl-Esters-atom15" elementType="O" x2="2425.0" y2="0.0"/> <atom id="Steryl-Esters-atom16" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="Steryl-Esters-atom17" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="Steryl-Esters-atom18" elementType="C" x2="11031.0" y2="-4633.0"/> <atom id="Steryl-Esters-atom19" elementType="C" x2="6062.0" y2="-700.0"/> <atom id="Steryl-Esters-atom20" elementType="C" x2="8487.0" y2="-2100.0"/> <atom id="Steryl-Esters-atom21" elementType="C" x2="9700.0" y2="-2800.0"/> <atom id="Steryl-Esters-atom22" elementType="C" x2="7275.0" y2="-2800.0"/> <atom id="Steryl-Esters-atom23" elementType="C" x2="9700.0" y2="-4200.0"/> <atom id="Steryl-Esters-atom24" elementType="C" x2="6062.0" y2="-2100.0"/> </atomArray> <bondArray> <bond id="Steryl-Esters-bond1" atomRefs="Steryl-Esters-atom22 Steryl-Esters-atom24" ord…

CHEBI CHEBI:15631
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-10-13-18-19%2824-18%2916-15-17%2821%2912-9-7-8-11-14-20%2822%2923%2Fh6-7%2C9-10%2C15-19%2C21H%2C2-5%2C8%2C11-14H2%2C1H3%2C%28H%2C22%2C23%29%2Fb9-7-%2C10-6-%2C16-15%2B%2Ft17%3F%2C18-%2C19%2B%2Fm0%2Fs1

CHEBI CHEBI:2365
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7-%2Ft15-%2Fm1%2Fs1

CHEBI CHEBI:45223
structure data: InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

biopax-level3ChemicalStructure133755
structure data: <atom id="PROSTAGLANDIN-H2-atom1" elementType="C" x2="7202.0" y2="-1263.0"/> <atom id="PROSTAGLANDIN-H2-atom2" elementType="O" x2="6324.0" y2="-1467.0"/> <atom id="PROSTAGLANDIN-H2-atom3" elementType="O" x2="6914.0" y2="-2573.0" formalCharge="-1"/> <atom id="PROSTAGLANDIN-H2-atom4" elementType="O" x2="3691.0" y2="0.0"/> <atom id="PROSTAGLANDIN-H2-atom5" elementType="C" x2="3835.0" y2="-2164.0"/> <atom id="PROSTAGLANDIN-H2-atom6" elementType="C" x2="3006.0" y2="-2164.0"/> <atom id="PROSTAGLANDIN-H2-atom7" elementType="C" x2="3006.0" y2="-1263.0"/> <atom id="PROSTAGLANDIN-H2-atom8" elementType="C" x2="2320.0" y2="-830.0"/> <atom id="PROSTAGLANDIN-H2-atom9" elementType="C" x2="6493.0" y2="-830.0"/> <atom id="PROSTAGLANDIN-H2-atom10" elementType="C" x2="4412.0" y2="-2573.0"/> <atom id="PROSTAGLANDIN-H2-atom11" elementType="C" x2="5747.0" y2="-1263.0"/> <atom id="PROSTAGLANDIN-H2-atom12" elementType="C" x2="5050.0" y2="-2164.0"/> <atom id="PROSTAGLANDIN-H2-atom13" elementType="C" x2="5038.0" y2="-830.0"/> <atom id="PROSTAGLANDIN-H2-atom14" elementType="C" x2="2284.0" y2="-2573.0"/> <atom id="PROSTAGLANDIN-H2-atom15" elementType="C" x2="5675.0" y2="-2573.0"/> <atom id="PROSTAGLANDIN-H2-atom16" elementType="C" x2="4352.0" y2="-1263.0"/> <atom id="PROSTAGLANDIN-H2-atom17" elementType="C" x2="336.0" y2="-1671.0"/> <atom id="PROSTAGLANDIN-H2-atom18" elementType="O" x2="0.0" y2="-1010.0"/> <atom id="PROSTAGLANDIN-H2-atom19" elementType="O" x2="0.0" y2="-2333.0"/> <atom id="PROSTAGLANDIN-H2-atom20" elementType="C" x2="6324.0" y2="-2164.0"/> <atom id="PROSTAGLANDIN-H2-atom21" elementType="C" x2="3691.0" y2="-830.0"/> <atom id="PROSTAGLANDIN-H2-atom22" elementType="C" x2="1611.0" y2="-1263.0"/> <atom id="PROSTAGLANDIN-H2-atom23" elementType="C" x2="830.0" y2="-998.0"/> <atom id="PROSTAGLANDIN-H2-atom24" elementType="C" x2="830.0" y2="-2333.0"/> <atom id="PROSTAGLANDIN-H2-atom25" elementType="C" x2="1611.0" y2="-2080.0"/> <bond id="PROSTAGLANDIN-H2-bond1" atomRefs="PROSTAGLANDIN-H…

CHEBI CHEBI:49646
structure data: InChI%3D1S%2FC2HBrClF3%2Fc3-1%284%292%285%2C6%297%2Fh1H%2Ft1-%2Fm0%2Fs1

CHEBI CHEBI:64238
structure data: InChI%3D1S%2FC10H16O2%2Fc1-9%286-7-11%294-3-5-10%282%298-12%2Fh5-7%2C12H%2C3-4%2C8H2%2C1-2H3%2Fb9-6%2B%2C10-5%2B

CHEBI CHEBI:18155
structure data: InChI%3D1S%2FC23H44O5%2Fc1-3-5-7-9-11-13-15-17-22%2825%2927-20-21%2819-24%2928-23%2826%2918-16-14-12-10-8-6-4-2%2Fh21%2C24H%2C3-20H2%2C1-2H3%2Ft21-%2Fm0%2Fs1

biopax-level3ChemicalStructure155453
structure data: <atom id="DIHYDRO-SPHINGOSINE-atom1" elementType="C" x2="0.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom2" elementType="N" x2="11474.0" y2="-2072.0" formalCharge="1"/> <atom id="DIHYDRO-SPHINGOSINE-atom3" elementType="O" x2="12916.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom4" elementType="O" x2="10761.0" y2="0.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom5" elementType="C" x2="713.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom6" elementType="C" x2="1426.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom7" elementType="C" x2="2139.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom8" elementType="C" x2="2868.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom9" elementType="C" x2="3581.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom10" elementType="C" x2="4294.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom11" elementType="C" x2="5024.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom12" elementType="C" x2="5737.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom13" elementType="C" x2="6450.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom14" elementType="C" x2="7163.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom15" elementType="C" x2="7892.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom16" elementType="C" x2="8606.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom17" elementType="C" x2="9318.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom18" elementType="C" x2="12204.0" y2="-829.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom19" elementType="C" x2="10048.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom20" elementType="C" x2="11474.0" y2="-1244.0"/> <atom id="DIHYDRO-SPHINGOSINE-atom21" elementType="C" x2="10761.0" y2="-829.0"/> <bond id="DIHYDRO-SPHINGOSINE-bond1" atomRefs="DIHYDRO-SPHINGOSINE-atom20 DIHYDRO-SPHINGOSINE-atom21" order="1"/> <bond id="DIHYDRO-SPHINGOSINE-bond2" atomRefs="DIHYDRO-SPHINGOSINE-atom19 DIHYDRO-SPHINGOSINE-atom21" order="1"/> <bond id="DIHYDRO-SPHINGOSINE-bond3" atomRefs="DIHYDRO-SPHINGOSINE-atom18…

CHEBI CHEBI:58145
structure data: InChI%3D1S%2FC5H14N4%2Fc6-3-1-2-4-9-5%287%298%2Fh1-4%2C6H2%2C%28H4%2C7%2C8%2C9%29%2Fp%2B2

biopax-level3ChemicalStructure173844
structure data: <atom id="CPD-3184-atom1" elementType="C" x2="2895.0" y2="-1222.0"/> <atom id="CPD-3184-atom2" elementType="C" x2="732.0" y2="0.0"/> <atom id="CPD-3184-atom3" elementType="O" x2="4263.0" y2="-2341.0"/> <atom id="CPD-3184-atom4" elementType="C" x2="0.0" y2="-2062.0"/> <atom id="CPD-3184-atom5" elementType="C" x2="714.0" y2="-2475.0"/> <atom id="CPD-3184-atom6" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3184-atom7" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3184-atom8" elementType="C" x2="3121.0" y2="-3364.0"/> <atom id="CPD-3184-atom9" elementType="C" x2="2305.0" y2="-3243.0"/> <atom id="CPD-3184-atom10" elementType="C" x2="3489.0" y2="-2625.0"/> <atom id="CPD-3184-atom11" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="CPD-3184-atom12" elementType="N" x2="2899.0" y2="-2047.0"/> <atom id="CPD-3184-atom13" elementType="N" x2="714.0" y2="-825.0" formalCharge="1"/> <atom id="CPD-3184-atom14" elementType="C" x2="2168.0" y2="-2430.0"/> <bond id="CPD-3184-bond1" atomRefs="CPD-3184-atom14 CPD-3184-atom12" order="1"/> <bond id="CPD-3184-bond2" atomRefs="CPD-3184-atom11 CPD-3184-atom14" order="1"/> <bond id="CPD-3184-bond3" atomRefs="CPD-3184-atom10 CPD-3184-atom12" order="1"/> <bond id="CPD-3184-bond4" atomRefs="CPD-3184-atom9 CPD-3184-atom14" order="1"/> <bond id="CPD-3184-bond5" atomRefs="CPD-3184-atom8 CPD-3184-atom10" order="1"/> <bond id="CPD-3184-bond6" atomRefs="CPD-3184-atom8 CPD-3184-atom9" order="1"/> <bond id="CPD-3184-bond7" atomRefs="CPD-3184-atom7 CPD-3184-atom13" order="2"/> <bond id="CPD-3184-bond8" atomRefs="CPD-3184-atom11 CPD-3184-atom7" order="1"/> <bond id="CPD-3184-bond9" atomRefs="CPD-3184-atom13 CPD-3184-atom6" order="1"/> <bond id="CPD-3184-bond10" atomRefs="CPD-3184-atom5 CPD-3184-atom11" order="2"/> <bond id="CPD-3184-bond11" atomRefs="CPD-3184-atom6 CPD-3184-atom4" order="2"/> <bond id="CPD-3184-bond12" atomRefs="CPD-3184-atom4 CPD-3184-atom5" order="1"/> <bond id="CPD-3184-bond13" atomRefs="CPD-3184-atom3 CPD-3184-at…

CHEBI CHEBI:16424
structure data: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

CHEBI CHEBI:55521
structure data: InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

CHEBI CHEBI:39254
structure data: InChI%3D1S%2FC18H26ClN3%2Fc1-4-22%285-2%2912-6-7-14%283%2921-17-10-11-20-18-13-15%2819%298-9-16%2817%2918%2Fh8-11%2C13-14H%2C4-7%2C12H2%2C1-3H3%2C%28H%2C20%2C21%29%2Ft14-%2Fm0%2Fs1

biopax-level3ChemicalStructure149148
structure data: <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom1" elementType="C" x2="0.0" y2="-3814.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom2" elementType="C" x2="3349.0" y2="0.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom3" elementType="O" x2="632.0" y2="-5172.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom4" elementType="O" x2="4565.0" y2="-702.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom5" elementType="O" x2="4959.0" y2="-2865.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom6" elementType="O" x2="5498.0" y2="-4316.0" formalCharge="-1"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom7" elementType="O" x2="1675.0" y2="-2111.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom8" elementType="O" x2="1684.0" y2="-2855.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom9" elementType="O" x2="2512.0" y2="-4660.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom10" elementType="O" x2="4475.0" y2="-5116.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom11" elementType="C" x2="2521.0" y2="-1404.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom12" elementType="N" x2="1275.0" y2="-3692.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom13" elementType="O" x2="3349.0" y2="-1404.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom14" elementType="O" x2="3796.0" y2="-3414.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom15" elementType="C" x2="632.0" y2="-4344.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom16" elementType="C" x2="3754.0" y2="-702.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom17" elementType="C" x2="4959.0" y2="-3692.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom18" elementType="C" x2="2521.0" y2="-2111.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom19" elementType="C" x2="2521.0" y2="-2855.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom20" elementType="C" x2="3796.0" y2="-5153.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom21" elementType="C" x2="2512.0" y2="-5153.0"/> <atom id="N-ACETYL-O-ACETYLNEURAMINATE-atom22" elementType="C" x2="1851.0" y2="-4288.0"/> <atom id="N-ACETYL-O-A…

CHEBI CHEBI:44699
structure data: InChI%3D1S%2FC45H90NO8P%2Fc1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45%2848%2954-43%2842-53-55%2849%2C50%2952-40-39-46%283%2C4%295%2941-51-44%2847%2937-35-33-31-29-15-13-11-9-7-2%2Fh43H%2C6-42H2%2C1-5H3%2Fp%2B1%2Ft43-%2Fm1%2Fs1

CHEBI CHEBI:58374
structure data: InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2/p+1

CHEBI CHEBI:11812
structure data: InChI%3D1S%2FC5H8O4%2Fc1-5%282%2C9%293%286%294%287%298%2Fh9H%2C1-2H3%2C%28H%2C7%2C8%29%2Fp-1

biopax-level3ChemicalStructure139501
structure data: <atom id="CPD-11939-atom1" elementType="O" x2="659400.0" y2="-328500.0"/> <atom id="CPD-11939-atom2" elementType="O" x2="614400.0" y2="-142300.0"/> <atom id="CPD-11939-atom3" elementType="O" x2="436500.0" y2="-660000.0"/> <atom id="CPD-11939-atom4" elementType="O" x2="354000.0" y2="-82500.0"/> <atom id="CPD-11939-atom5" elementType="O" x2="149000.0" y2="-491800.0"/> <atom id="CPD-11939-atom6" elementType="O" x2="259300.0" y2="-136000.0"/> <atom id="CPD-11939-atom7" elementType="O" x2="659800.0" y2="-493500.0" formalCharge="-1"/> <atom id="CPD-11939-atom8" elementType="O" x2="744400.0" y2="-412000.0" formalCharge="-1"/> <atom id="CPD-11939-atom9" elementType="O" x2="695400.0" y2="-286100.0" formalCharge="-1"/> <atom id="CPD-11939-atom10" elementType="O" x2="729200.0" y2="-178400.0"/> <atom id="CPD-11939-atom11" elementType="O" x2="519000.0" y2="-577500.0" formalCharge="-1"/> <atom id="CPD-11939-atom12" elementType="O" x2="354000.0" y2="-577500.0" formalCharge="-1"/> <atom id="CPD-11939-atom13" elementType="O" x2="436500.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-11939-atom14" elementType="O" x2="519000.0" y2="-82500.0" formalCharge="-1"/> <atom id="CPD-11939-atom15" elementType="O" x2="256300.0" y2="-526900.0" formalCharge="-1"/> <atom id="CPD-11939-atom16" elementType="O" x2="183400.0" y2="-378900.0" formalCharge="-1"/> <atom id="CPD-11939-atom17" elementType="O" x2="182200.0" y2="-281900.0" formalCharge="-1"/> <atom id="CPD-11939-atom18" elementType="O" x2="579400.0" y2="-412500.0"/> <atom id="CPD-11939-atom19" elementType="O" x2="579400.0" y2="-247500.0"/> <atom id="CPD-11939-atom20" elementType="O" x2="436500.0" y2="-495000.0"/> <atom id="CPD-11939-atom21" elementType="O" x2="436500.0" y2="-165000.0"/> <atom id="CPD-11939-atom22" elementType="O" x2="293600.0" y2="-412500.0"/> <atom id="CPD-11939-atom23" elementType="O" x2="293600.0" y2="-247500.0"/> <atom id="CPD-11939-atom24" elementType="O" x2="145700.0" y2="-174700.0"/> <atom id="CPD-11939-atom25" elementTy…

CHEBI CHEBI:63904
structure data: InChI%3D1S%2FC16H32O4%2Fc17-13-11-9-7-5-3-1-2-4-6-8-10-12-15%2818%2914-16%2819%2920%2Fh15%2C17-18H%2C1-14H2%2C%28H%2C19%2C20%29%2Fp-1

CHEBI CHEBI:52450
structure data: InChI%3D1S%2FC28H58NO7P%2Fc1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28%2836-27%282%2930%2926-35-37%2831%2C32%2934-24-22-29%283%2C4%295%2Fh28H%2C6-26H2%2C1-5H3%2Fp%2B1%2Ft28-%2Fm1%2Fs1

CHEBI CHEBI:46645
structure data: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

biopax-level3ChemicalStructure137051
structure data: <atom id="METHACRYLYL-COA-atom1" elementType="C" x2="41098.0" y2="-10543.0"/> <atom id="METHACRYLYL-COA-atom2" elementType="O" x2="10082.0" y2="-9930.0" formalCharge="-1"/> <atom id="METHACRYLYL-COA-atom3" elementType="C" x2="38043.0" y2="-16348.0"/> <atom id="METHACRYLYL-COA-atom4" elementType="C" x2="-16348.0" y2="-26430.0"/> <atom id="METHACRYLYL-COA-atom5" elementType="N" x2="28266.0" y2="2445.0"/> <atom id="METHACRYLYL-COA-atom6" elementType="O" x2="4277.0" y2="-39418.0"/> <atom id="METHACRYLYL-COA-atom7" elementType="O" x2="20473.0" y2="-37891.0"/> <atom id="METHACRYLYL-COA-atom8" elementType="C" x2="4277.0" y2="-31168.0"/> <atom id="METHACRYLYL-COA-atom9" elementType="N" x2="-46141.0" y2="-6418.0"/> <atom id="METHACRYLYL-COA-atom10" elementType="C" x2="45989.0" y2="10082.0"/> <atom id="METHACRYLYL-COA-atom11" elementType="O" x2="36973.0" y2="-37891.0" formalCharge="-1"/> <atom id="METHACRYLYL-COA-atom12" elementType="N" x2="21086.0" y2="13750.0"/> <atom id="METHACRYLYL-COA-atom13" elementType="C" x2="-46141.0" y2="-27195.0"/> <atom id="METHACRYLYL-COA-atom14" elementType="O" x2="33305.0" y2="-6266.0"/> <atom id="METHACRYLYL-COA-atom15" elementType="O" x2="-39875.0" y2="5500.0"/> <atom id="METHACRYLYL-COA-atom16" elementType="N" x2="27500.0" y2="25820.0"/> <atom id="METHACRYLYL-COA-atom17" elementType="O" x2="18027.0" y2="-1680.0"/> <atom id="METHACRYLYL-COA-atom18" elementType="C" x2="-30555.0" y2="-26739.0"/> <atom id="METHACRYLYL-COA-atom19" elementType="O" x2="38043.0" y2="-21239.0"/> <atom id="METHACRYLYL-COA-atom20" elementType="O" x2="-5043.0" y2="6570.0"/> <atom id="METHACRYLYL-COA-atom21" elementType="O" x2="10082.0" y2="6570.0"/> <atom id="METHACRYLYL-COA-atom22" elementType="C" x2="10543.0" y2="-26430.0"/> <atom id="METHACRYLYL-COA-atom23" elementType="C" x2="27500.0" y2="17570.0"/> <atom id="METHACRYLYL-COA-atom24" elementType="C" x2="10543.0" y2="-18180.0"/> <atom id="METHACRYLYL-COA-atom25" elementType="C" x2="-39875.0" y2="-2750.0"/> <atom id="M…

CHEBI CHEBI:59018
structure data: InChI%3D1S%2FC7H15N%2Fc1-8-7-5-3-2-4-6-7%2Fh7-8H%2C2-6H2%2C1H3

biopax-level3ChemicalStructure140658
structure data: <cml> <molecule id="PROTEIN-L-CITRULLINE" title="a [protein]-L-citrulline" formalCharge="0" dictRef="dictPROTEIN-L-CITRULLINE"> <atomArray> <atom id="PROTEIN-L-CITRULLINE-atom1" elementType="C" x2="11697.0" y2="-35420.0"/> <atom id="PROTEIN-L-CITRULLINE-atom2" elementType="C" x2="-54201.0" y2="-73311.0"/> <atom id="PROTEIN-L-CITRULLINE-atom3" elementType="O" x2="-75947.0" y2="-60461.0"/> <atom id="PROTEIN-L-CITRULLINE-atom4" elementType="C" x2="77595.0" y2="-22570.0"/> <atom id="PROTEIN-L-CITRULLINE-atom5" elementType="C" x2="33773.0" y2="-22570.0"/> <atom id="PROTEIN-L-CITRULLINE-atom6" elementType="Protein" x2="-54201.0" y2="-100000.0"/> <atom id="PROTEIN-L-CITRULLINE-atom7" elementType="Protein" x2="-100000.0" y2="-17957.0"/> <atom id="PROTEIN-L-CITRULLINE-atom8" elementType="O" x2="-54201.0" y2="2801.0"/> <atom id="PROTEIN-L-CITRULLINE-atom9" elementType="N" x2="-32125.0" y2="-60461.0"/> <atom id="PROTEIN-L-CITRULLINE-atom10" elementType="C" x2="-10049.0" y2="-22570.0"/> <atom id="PROTEIN-L-CITRULLINE-atom11" elementType="N" x2="55848.0" y2="-35420.0"/> <atom id="PROTEIN-L-CITRULLINE-atom12" elementType="N" x2="-75947.0" y2="-35420.0"/> <atom id="PROTEIN-L-CITRULLINE-atom13" elementType="N" x2="99671.0" y2="-35420.0"/> <atom id="PROTEIN-L-CITRULLINE-atom14" elementType="C" x2="-32125.0" y2="-35420.0"/> <atom id="PROTEIN-L-CITRULLINE-atom15" elementType="C" x2="-54201.0" y2="-22570.0"/> <atom id="PROTEIN-L-CITRULLINE-atom16" elementType="O" x2="77595.0" y2="2801.0"/> </atomArray> <bondArray> <bond id="PROTEIN-L-CITRULLINE-bond1" atomRefs="PROTEIN-L-CITRULLINE-atom16 PROTEIN-L-CITRULLINE-atom4" order="2"/> <bond id="PROTEIN-L-CITRULLINE-bond2" atomRefs="PROTEIN-L-CITRULLINE-atom15 PROTEIN-L-CITRULLINE-atom14" order="1"/> <bond id="PROTEIN-L-CITRULLINE-bond3" atomRefs="PROTEIN-L-CITRULLINE-atom14 PROTEIN-L-CITRULLINE-atom9" order="1"/> <bond id="PROTEIN-L-CITRULLINE-bond4" atomRefs="PROTEIN-L-CITRULLINE-atom13 PROTEIN-L-CITRULLINE-atom4" order="1"/> <bond id="PROTE…

biopax-level3ChemicalStructure167660
structure data: <atom id="DEOXYCHOLATE-atom1" elementType="C" x2="-17029.0" y2="-2165.0"/> <atom id="DEOXYCHOLATE-atom2" elementType="C" x2="-24173.0" y2="1960.0"/> <atom id="DEOXYCHOLATE-atom3" elementType="C" x2="-17029.0" y2="14335.0"/> <atom id="DEOXYCHOLATE-atom4" elementType="C" x2="-2739.0" y2="14335.0"/> <atom id="DEOXYCHOLATE-atom5" elementType="C" x2="-9884.0" y2="1960.0"/> <atom id="DEOXYCHOLATE-atom6" elementType="C" x2="-2739.0" y2="-10415.0"/> <atom id="DEOXYCHOLATE-atom7" elementType="C" x2="19396.0" y2="384.0"/> <atom id="DEOXYCHOLATE-atom8" elementType="C" x2="24246.0" y2="-6290.0"/> <atom id="DEOXYCHOLATE-atom9" elementType="C" x2="-9884.0" y2="-6290.0"/> <atom id="DEOXYCHOLATE-atom10" elementType="C" x2="-2739.0" y2="-2165.0"/> <atom id="DEOXYCHOLATE-atom11" elementType="H" x2="-2739.0" y2="6085.0"/> <atom id="DEOXYCHOLATE-atom12" elementType="C" x2="4405.0" y2="1960.0"/> <atom id="DEOXYCHOLATE-atom13" elementType="H" x2="4405.0" y2="-6290.0"/> <atom id="DEOXYCHOLATE-atom14" elementType="C" x2="11550.0" y2="-2165.0"/> <atom id="DEOXYCHOLATE-atom15" elementType="C" x2="11550.0" y2="-10415.0"/> <atom id="DEOXYCHOLATE-atom16" elementType="C" x2="11550.0" y2="-18665.0"/> <atom id="DEOXYCHOLATE-atom17" elementType="H" x2="11550.0" y2="6085.0"/> <atom id="DEOXYCHOLATE-atom18" elementType="H" x2="26541.0" y2="-17089.0"/> <atom id="DEOXYCHOLATE-atom19" elementType="C" x2="-24173.0" y2="10210.0"/> <atom id="DEOXYCHOLATE-atom20" elementType="O" x2="-31318.0" y2="14335.0"/> <atom id="DEOXYCHOLATE-atom21" elementType="C" x2="4405.0" y2="10210.0"/> <atom id="DEOXYCHOLATE-atom22" elementType="C" x2="-9884.0" y2="10210.0"/> <atom id="DEOXYCHOLATE-atom23" elementType="H" x2="-9884.0" y2="18460.0"/> <atom id="DEOXYCHOLATE-atom24" elementType="C" x2="35821.0" y2="-20933.0"/> <atom id="DEOXYCHOLATE-atom25" elementType="C" x2="28676.0" y2="-25058.0"/> <atom id="DEOXYCHOLATE-atom26" elementType="C" x2="42965.0" y2="-25058.0"/> <atom id="DEOXYCHOLATE-atom27" elementType="O" x2="42965.…

biopax-level3ChemicalStructure144077
structure data: <cml> <molecule id="Keratan-sulfate-NAcGlcN6S" title="[keratan sulfate]-alpha-N-acetyl-D-glucosamine-6-O-sulfate" formalCharge="-1" dictRef="dictKeratan-sulfate-NAcGlcN6S"> <atomArray> <atom id="Keratan-sulfate-NAcGlcN6S-atom1" elementType="O" x2="-259290.0" y2="-106070.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom2" elementType="C" x2="-330730.0" y2="-64820.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom3" elementType="C" x2="-330730.0" y2="17680.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom4" elementType="C" x2="-259290.0" y2="58930.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom5" elementType="C" x2="-187840.0" y2="17680.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom6" elementType="C" x2="-187840.0" y2="-64820.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom7" elementType="O" x2="-116390.0" y2="-106070.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom8" elementType="N" x2="-129500.0" y2="76020.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom9" elementType="O" x2="-259290.0" y2="141430.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom10" elementType="O" x2="-402180.0" y2="58930.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom11" elementType="C" x2="-389070.0" y2="-123160.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom12" elementType="O" x2="-460520.0" y2="-81910.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom13" elementType="R1" x2="-116390.0" y2="-188570.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom14" elementType="R2" x2="-402180.0" y2="141430.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom15" elementType="S" x2="-543020.0" y2="-81910.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom16" elementType="O" x2="-625520.0" y2="-81910.0" formalCharge="-1"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom17" elementType="O" x2="-543020.0" y2="-164410.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom18" elementType="O" x2="-543020.0" y2="590.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom19" elementType="C" x2="-129500.0" y2="158520.0"/> <atom id="Keratan-sulfate-NAcGlcN6S-atom20" elementType="O" x2="-200950.0" y2=…

biopax-level3ChemicalStructure171198
structure data: <cml> <molecule id="Thyroglobulin-3-iodotyrosines" title="[thyroglobulin]-3-iodotyrosine" formalCharge="0" dictRef="dictThyroglobulin-3-iodotyrosines"> <atomArray> <atom id="Thyroglobulin-3-iodotyrosines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-iodotyrosines-atom18" elementType="I" x2="17454.0" y2="-22686.0"/> </atomArray> <bondArray> <bond id="Thyroglobulin-3-iodotyrosines-bond1" atomRefs="Thyroglobulin-3-iodotyrosines-atom1 Thyroglobulin-3-iodotyrosines-atom2" or…

biopax-level3ChemicalStructure132549
structure data: <atom id="SUC-COA-atom1" elementType="C" x2="42864.0" y2="-11205.0"/> <atom id="SUC-COA-atom2" elementType="N" x2="-48549.0" y2="-6981.0"/> <atom id="SUC-COA-atom3" elementType="C" x2="39781.0" y2="-17211.0"/> <atom id="SUC-COA-atom4" elementType="C" x2="-29392.0" y2="5520.0"/> <atom id="SUC-COA-atom5" elementType="N" x2="29392.0" y2="2437.0"/> <atom id="SUC-COA-atom6" elementType="O" x2="-42053.0" y2="5520.0"/> <atom id="SUC-COA-atom7" elementType="P" x2="39781.0" y2="-39941.0"/> <atom id="SUC-COA-atom8" elementType="C" x2="-42053.0" y2="-3088.0"/> <atom id="SUC-COA-atom9" elementType="O" x2="39781.0" y2="-22405.0"/> <atom id="SUC-COA-atom10" elementType="C" x2="47899.0" y2="10390.0"/> <atom id="SUC-COA-atom11" elementType="O" x2="39781.0" y2="-48549.0" formalCharge="-1"/> <atom id="SUC-COA-atom12" elementType="N" x2="21920.0" y2="14128.0"/> <atom id="SUC-COA-atom13" elementType="C" x2="10880.0" y2="-27925.0"/> <atom id="SUC-COA-atom14" elementType="O" x2="34747.0" y2="-6821.0"/> <atom id="SUC-COA-atom15" elementType="O" x2="-32149.0" y2="-20133.0"/> <atom id="SUC-COA-atom16" elementType="N" x2="-25653.0" y2="-32474.0"/> <atom id="SUC-COA-atom17" elementType="O" x2="-15424.0" y2="-1947.0"/> <atom id="SUC-COA-atom18" elementType="C" x2="4224.0" y2="-32800.0"/> <atom id="SUC-COA-atom19" elementType="O" x2="23707.0" y2="-19323.0"/> <atom id="SUC-COA-atom20" elementType="C" x2="23707.0" y2="-27925.0"/> <atom id="SUC-COA-atom21" elementType="O" x2="10390.0" y2="6656.0"/> <atom id="SUC-COA-atom22" elementType="C" x2="-32149.0" y2="-28741.0"/> <atom id="SUC-COA-atom23" elementType="C" x2="28576.0" y2="18347.0"/> <atom id="SUC-COA-atom24" elementType="O" x2="10390.0" y2="-10555.0" formalCharge="-1"/> <atom id="SUC-COA-atom25" elementType="C" x2="-29392.0" y2="-3088.0"/> <atom id="SUC-COA-atom26" elementType="N" x2="42864.0" y2="2762.0"/> <atom id="SUC-COA-atom27" elementType="C" x2="-29392.0" y2="-11691.0"/> <atom id="SUC-COA-atom28" elementType="O" x2="39781.0" y2="-30363…

biopax-level3ChemicalStructure169155
structure data: <atom id="CPD-7189-atom1" elementType="C" x2="7779.0" y2="-1815.0"/> <atom id="CPD-7189-atom2" elementType="C" x2="8852.0" y2="-2759.0"/> <atom id="CPD-7189-atom3" elementType="C" x2="4791.0" y2="-4131.0"/> <atom id="CPD-7189-atom4" elementType="C" x2="2143.0" y2="-2063.0"/> <atom id="CPD-7189-atom5" elementType="C" x2="4287.0" y2="-3300.0"/> <atom id="CPD-7189-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-7189-atom7" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-7189-atom8" elementType="C" x2="6689.0" y2="-3054.0"/> <atom id="CPD-7189-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-7189-atom10" elementType="C" x2="7498.0" y2="-3216.0"/> <atom id="CPD-7189-atom11" elementType="C" x2="6144.0" y2="-3674.0"/> <atom id="CPD-7189-atom12" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-7189-atom13" elementType="C" x2="5556.0" y2="-2063.0"/> <atom id="CPD-7189-atom14" elementType="C" x2="5071.0" y2="-1395.0"/> <atom id="CPD-7189-atom15" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="CPD-7189-atom16" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-7189-atom17" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="CPD-7189-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-7189-atom19" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-7189-atom20" elementType="C" x2="8043.0" y2="-2597.0"/> <atom id="CPD-7189-atom21" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-7189-atom22" elementType="C" x2="5336.0" y2="-3512.0"/> <atom id="CPD-7189-atom23" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-7189-atom24" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-7189-atom25" elementType="C" x2="5071.0" y2="-2730.0"/> <atom id="CPD-7189-atom26" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="CPD-7189-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-7189-atom28" elementType="C" x2="4287.0" y2="-2475.0"/> <atom id="CPD-7189-atom29" elementType="O" x2="6408.0" y2="-4455.0"/>…

biopax-level3ChemicalStructure150122
structure data: <cml> <molecule id="Alkyl-acetyl-glycero-phosphocholines" title="a 1-alkyl-2-acetyl-sn-glycero-3-phosphocholine" formalCharge="0" dictRef="dictAlkyl-acetyl-glycero-phosphocholines"> <atomArray> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom1" elementType="C" x2="2144.0" y2="-4539.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom2" elementType="C" x2="3600.0" y2="-422.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom3" elementType="C" x2="3590.0" y2="-1247.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom4" elementType="C" x2="2891.0" y2="0.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom5" elementType="O" x2="2858.0" y2="-5777.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom6" elementType="O" x2="2281.0" y2="-3314.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom7" elementType="O" x2="632.0" y2="-3330.0" formalCharge="-1"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom8" elementType="R1" x2="714.0" y2="-7014.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom9" elementType="C" x2="2150.0" y2="-2053.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom10" elementType="C" x2="0.0" y2="-5777.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom11" elementType="C" x2="714.0" y2="-4539.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom12" elementType="C" x2="2161.0" y2="-1228.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom13" elementType="O" x2="0.0" y2="-6602.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom14" elementType="O" x2="1443.0" y2="-2477.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom15" elementType="O" x2="1429.0" y2="-4127.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom16" elementType="O" x2="1429.0" y2="-5777.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom17" elementType="C" x2="2143.0" y2="-5364.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-atom18" elementType="C" x2="714.0" y2="-5364.0"/> <atom id="Alkyl-acetyl-glycero-phosphocholines-…

biopax-level3ChemicalStructure157470
structure data: <atom id="3-SULFINYL-PYRUVATE-atom1" elementType="S" x2="1097.0" y2="-941.0"/> <atom id="3-SULFINYL-PYRUVATE-atom2" elementType="O" x2="-1051.0" y2="-1374.0"/> <atom id="3-SULFINYL-PYRUVATE-atom3" elementType="O" x2="-335.0" y2="-1767.0"/> <atom id="3-SULFINYL-PYRUVATE-atom4" elementType="O" x2="1097.0" y2="-1767.0"/> <atom id="3-SULFINYL-PYRUVATE-atom5" elementType="C" x2="381.0" y2="-531.0"/> <atom id="3-SULFINYL-PYRUVATE-atom6" elementType="O" x2="1761.0" y2="-444.0" formalCharge="-1"/> <atom id="3-SULFINYL-PYRUVATE-atom7" elementType="O" x2="-1767.0" y2="-953.0" formalCharge="-1"/> <atom id="3-SULFINYL-PYRUVATE-atom8" elementType="C" x2="-335.0" y2="-941.0"/> <atom id="3-SULFINYL-PYRUVATE-atom9" elementType="C" x2="-1051.0" y2="-549.0"/> <bond id="3-SULFINYL-PYRUVATE-bond1" atomRefs="3-SULFINYL-PYRUVATE-atom9 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond2" atomRefs="3-SULFINYL-PYRUVATE-atom7 3-SULFINYL-PYRUVATE-atom9" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond3" atomRefs="3-SULFINYL-PYRUVATE-atom5 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond4" atomRefs="3-SULFINYL-PYRUVATE-atom4 3-SULFINYL-PYRUVATE-atom1" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond5" atomRefs="3-SULFINYL-PYRUVATE-atom3 3-SULFINYL-PYRUVATE-atom8" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond6" atomRefs="3-SULFINYL-PYRUVATE-atom2 3-SULFINYL-PYRUVATE-atom9" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond7" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom5" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond8" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom6" order="1"/> <formula concise="H 2 C 3 O 5 S 1"/> 150.106 C(S([O-])=O)C(=O)C(=O)[O-]

CHEBI CHEBI:36656
structure data: InChI%3D1S%2FC8H6O3%2Fc9-7%288%2810%2911%296-4-2-1-3-5-6%2Fh1-5H%2C%28H%2C10%2C11%29%2Fp-1

CHEBI CHEBI:50145
structure data: InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3%2Ft15%3F%2C16-%2C17%2B

biopax-level3ChemicalStructure157638
structure data: <atom id="SPERMIDINE-atom1" elementType="N" x2="-18403.0" y2="-15268.0" formalCharge="1"/> <atom id="SPERMIDINE-atom2" elementType="C" x2="-11259.0" y2="-11143.0"/> <atom id="SPERMIDINE-atom3" elementType="C" x2="-4115.0" y2="-15268.0"/> <atom id="SPERMIDINE-atom4" elementType="C" x2="3030.0" y2="-11143.0"/> <atom id="SPERMIDINE-atom5" elementType="C" x2="10175.0" y2="-15268.0"/> <atom id="SPERMIDINE-atom6" elementType="N" x2="17319.0" y2="-11143.0" formalCharge="1"/> <atom id="SPERMIDINE-atom7" elementType="C" x2="24463.0" y2="-15268.0"/> <atom id="SPERMIDINE-atom8" elementType="C" x2="31608.0" y2="-11143.0"/> <atom id="SPERMIDINE-atom9" elementType="C" x2="38753.0" y2="-15268.0"/> <atom id="SPERMIDINE-atom10" elementType="N" x2="45897.0" y2="-11143.0" formalCharge="1"/> <bond id="SPERMIDINE-bond1" atomRefs="SPERMIDINE-atom1 SPERMIDINE-atom2" order="1"/> <bond id="SPERMIDINE-bond2" atomRefs="SPERMIDINE-atom2 SPERMIDINE-atom3" order="1"/> <bond id="SPERMIDINE-bond3" atomRefs="SPERMIDINE-atom3 SPERMIDINE-atom4" order="1"/> <bond id="SPERMIDINE-bond4" atomRefs="SPERMIDINE-atom4 SPERMIDINE-atom5" order="1"/> <bond id="SPERMIDINE-bond5" atomRefs="SPERMIDINE-atom5 SPERMIDINE-atom6" order="1"/> <bond id="SPERMIDINE-bond6" atomRefs="SPERMIDINE-atom6 SPERMIDINE-atom7" order="1"/> <bond id="SPERMIDINE-bond7" atomRefs="SPERMIDINE-atom7 SPERMIDINE-atom8" order="1"/> <bond id="SPERMIDINE-bond8" atomRefs="SPERMIDINE-atom8 SPERMIDINE-atom9" order="1"/> <bond id="SPERMIDINE-bond9" atomRefs="SPERMIDINE-atom9 SPERMIDINE-atom10" order="1"/> <formula concise="H 22 C 7 N 3"/> 148.271 C([N+]CCC[N+])CCC[N+]

CHEBI CHEBI:62426
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7%2B

CHEBI CHEBI:23926
structure data: InChI%3D1S%2FC15H22O5%2Fc1-10%286-12%2817%2918%294-5-15%2819%2913%282%297-11%2816%298-14%2815%2C3%2920-9-13%2Fh4-6%2C11%2C16%2C19H%2C7-9H2%2C1-3H3%2C%28H%2C17%2C18%29%2Fb5-4%2B%2C10-6-%2Ft11-%2C13-%2C14-%2C15%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure145147
structure data: <cml> <molecule id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA" title="a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate" formalCharge="-5" dictRef="dictPHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA"> <atomArray> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom1" elementType="O" x2="1781.0" y2="-6163.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom2" elementType="O" x2="600.0" y2="-4745.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom3" elementType="O" x2="8061.0" y2="0.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom4" elementType="O" x2="8048.0" y2="-3300.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom5" elementType="O" x2="3566.0" y2="-1650.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom6" elementType="O" x2="4385.0" y2="-825.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom7" elementType="O" x2="5814.0" y2="0.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom8" elementType="O" x2="5216.0" y2="-3044.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom9" elementType="O" x2="8057.0" y2="-1650.0" formalCharge="-1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom10" elementType="O" x2="8893.0" y2="-825.0" formalCharge="-1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom11" elementType="O" x2="7228.0" y2="-4125.0" formalCharge="-1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom12" elementType="O" x2="6398.0" y2="-3300.0" formalCharge="-1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom13" elementType="O" x2="3565.0" y2="-3300.0" formalCharge="-1"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom14" elementType="R" x2="3250.0" y2="-6227.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom15" elementType="R" x2="0.0" y2="-3355.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom16" elementType="C" x2="1943.0" y2="-4413.0"/> <atom id="PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA-atom17" elementType="C" x2="2739.0" y2="-3300.0"/> <atom id="PH…

biopax-level3ChemicalStructure174056
structure data: <atom id="CPD1G-106-atom1" elementType="C" x2="-47069.0" y2="-17384.0"/> <atom id="CPD1G-106-atom2" elementType="C" x2="-39924.0" y2="-13259.0"/> <atom id="CPD1G-106-atom3" elementType="C" x2="-32779.0" y2="-17384.0"/> <atom id="CPD1G-106-atom4" elementType="C" x2="-25634.0" y2="-13259.0"/> <atom id="CPD1G-106-atom5" elementType="C" x2="-18490.0" y2="-17384.0"/> <atom id="CPD1G-106-atom6" elementType="C" x2="-11346.0" y2="-13259.0"/> <atom id="CPD1G-106-atom7" elementType="C" x2="-4201.0" y2="-17384.0"/> <atom id="CPD1G-106-atom8" elementType="C" x2="2943.0" y2="-13259.0"/> <atom id="CPD1G-106-atom9" elementType="C" x2="10088.0" y2="-17384.0"/> <atom id="CPD1G-106-atom10" elementType="C" x2="17233.0" y2="-13259.0"/> <atom id="CPD1G-106-atom11" elementType="C" x2="24377.0" y2="-17384.0"/> <atom id="CPD1G-106-atom12" elementType="C" x2="31521.0" y2="-13259.0"/> <atom id="CPD1G-106-atom13" elementType="C" x2="38666.0" y2="-17384.0"/> <atom id="CPD1G-106-atom14" elementType="C" x2="45811.0" y2="-13259.0"/> <atom id="CPD1G-106-atom15" elementType="C" x2="52954.0" y2="-17384.0"/> <atom id="CPD1G-106-atom16" elementType="C" x2="60099.0" y2="-13259.0"/> <atom id="CPD1G-106-atom17" elementType="C" x2="67244.0" y2="-17384.0"/> <atom id="CPD1G-106-atom18" elementType="C" x2="81534.0" y2="-17384.0"/> <atom id="CPD1G-106-atom19" elementType="C" x2="88678.0" y2="-13259.0"/> <atom id="CPD1G-106-atom20" elementType="C" x2="95822.0" y2="-17384.0"/> <atom id="CPD1G-106-atom21" elementType="C" x2="102966.0" y2="-13259.0"/> <atom id="CPD1G-106-atom22" elementType="C" x2="110111.0" y2="-17384.0"/> <atom id="CPD1G-106-atom23" elementType="C" x2="117257.0" y2="-13259.0"/> <atom id="CPD1G-106-atom24" elementType="C" x2="124400.0" y2="-17384.0"/> <atom id="CPD1G-106-atom25" elementType="C" x2="131544.0" y2="-13259.0"/> <atom id="CPD1G-106-atom26" elementType="C" x2="146137.0" y2="-15823.0"/> <atom id="CPD1G-106-atom27" elementType="C" x2="166972.0" y2="-21508.0"/> <atom id="CPD1G-106-atom28…

biopax-level3ChemicalStructure161579
structure data: <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom1" elementType="C" x2="37457.0" y2="-3632.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom2" elementType="C" x2="77225.0" y2="-43895.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom3" elementType="O" x2="22938.0" y2="0.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom4" elementType="O" x2="62871.0" y2="-43069.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom5" elementType="O" x2="0.0" y2="-36467.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom6" elementType="O" x2="12542.0" y2="-62210.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom7" elementType="O" x2="41254.0" y2="-80361.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom8" elementType="O" x2="825.0" y2="-11717.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom9" elementType="O" x2="14028.0" y2="-4292.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom10" elementType="O" x2="13532.0" y2="-37292.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom11" elementType="O" x2="42244.0" y2="-38942.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom12" elementType="O" x2="55607.0" y2="-47358.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom13" elementType="C" x2="0.0" y2="-28217.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom14" elementType="C" x2="12542.0" y2="-53961.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom15" elementType="C" x2="41254.0" y2="-72111.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom16" elementType="N" x2="29372.0" y2="-13532.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom17" elementType="N" x2="69966.0" y2="-55607.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom18" elementType="O" x2="69966.0" y2="-72111.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA-atom19" elementType="O" x2="26896.0" y2="-54786.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA…

biopax-level3ChemicalStructure141682
structure data: <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom1" elementType="C" x2="24957.0" y2="-11625.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom2" elementType="C" x2="17813.0" y2="-7500.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom3" elementType="C" x2="10668.0" y2="-11625.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom4" elementType="C" x2="3523.0" y2="-7500.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom5" elementType="C" x2="-3622.0" y2="-11625.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom6" elementType="C" x2="-10766.0" y2="-7500.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom7" elementType="O" x2="24957.0" y2="-19875.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom8" elementType="O" x2="32102.0" y2="-7500.0" formalCharge="-1"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom9" elementType="O" x2="-3622.0" y2="-19875.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom10" elementType="C" x2="-20099.0" y2="-7562.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom11" elementType="C" x2="-26666.0" y2="-12553.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom12" elementType="C" x2="-33667.0" y2="-8189.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom13" elementType="C" x2="-40947.0" y2="-12070.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom14" elementType="C" x2="-47948.0" y2="-7706.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom15" elementType="C" x2="-57416.0" y2="-7524.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom16" elementType="C" x2="-60750.0" y2="-1691.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom17" elementType="C" x2="-57103.0" y2="5393.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom18" elementType="C" x2="-48853.0" y2="5393.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom19" elementType="C" x2="-41709.0" y2="1268.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom20" elementType="C" x2="-34564.0" y2="5393.0"/> <atom id="6Z8E10E14Z-5S12R-512-DIHYDROXYI-atom21" elementType="C" x2="-27419.0" y2="1268.0"/> <at…

biopax-level3ChemicalStructure159807
structure data: <atom id="CPD-2742-atom1" elementType="C" x2="2895.0" y2="-398.0"/> <atom id="CPD-2742-atom2" elementType="O" x2="4263.0" y2="-1516.0"/> <atom id="CPD-2742-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-2742-atom4" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-2742-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-2742-atom6" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-2742-atom7" elementType="C" x2="3121.0" y2="-2539.0"/> <atom id="CPD-2742-atom8" elementType="C" x2="2305.0" y2="-2418.0"/> <atom id="CPD-2742-atom9" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-2742-atom10" elementType="C" x2="3489.0" y2="-1800.0"/> <atom id="CPD-2742-atom11" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-2742-atom12" elementType="N" x2="2899.0" y2="-1223.0"/> <atom id="CPD-2742-atom13" elementType="C" x2="2168.0" y2="-1605.0"/> <bond id="CPD-2742-bond1" atomRefs="CPD-2742-atom13 CPD-2742-atom12" order="1"/> <bond id="CPD-2742-bond2" atomRefs="CPD-2742-atom11 CPD-2742-atom13" order="1"/> <bond id="CPD-2742-bond3" atomRefs="CPD-2742-atom10 CPD-2742-atom12" order="1"/> <bond id="CPD-2742-bond4" atomRefs="CPD-2742-atom8 CPD-2742-atom13" order="1"/> <bond id="CPD-2742-bond5" atomRefs="CPD-2742-atom7 CPD-2742-atom10" order="1"/> <bond id="CPD-2742-bond6" atomRefs="CPD-2742-atom7 CPD-2742-atom8" order="1"/> <bond id="CPD-2742-bond7" atomRefs="CPD-2742-atom11 CPD-2742-atom6" order="2"/> <bond id="CPD-2742-bond8" atomRefs="CPD-2742-atom6 CPD-2742-atom9" order="1"/> <bond id="CPD-2742-bond9" atomRefs="CPD-2742-atom5 CPD-2742-atom11" order="1"/> <bond id="CPD-2742-bond10" atomRefs="CPD-2742-atom9 CPD-2742-atom4" order="2"/> <bond id="CPD-2742-bond11" atomRefs="CPD-2742-atom3 CPD-2742-atom5" order="2"/> <bond id="CPD-2742-bond12" atomRefs="CPD-2742-atom4 CPD-2742-atom3" order="1"/> <bond id="CPD-2742-bond13" atomRefs="CPD-2742-atom2 CPD-2742-atom10" order="2"/> <bond id="CPD-2742-bond14" atomRefs="CPD-2742-atom1 CPD-2742-atom12" ord…

biopax-level3ChemicalStructure149561
structure data: <cml> <molecule id="HEPARIN-GLUCOSAMINE" title="[heparan sulfate]-alpha-D-glucosamine" formalCharge="0" dictRef="dictHEPARIN-GLUCOSAMINE"> <atomArray> <atom id="HEPARIN-GLUCOSAMINE-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="HEPARIN-GLUCOSAMINE-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> </atomArray> <bondArray> <bond id="HEPARIN-GLUCOSAMINE-bond1" atomRefs="HEPARIN-GLUCOSAMINE-atom1 HEPARIN-GLUCOSAMINE-atom2" order="1"/> <bond id="HEPARIN-GLUCOSAMINE-bond2" atomRefs="HEPARIN-GLUCOSAMINE-atom2 HEPARIN-GLUCOSAMINE-atom3" order="1"/> <bond id="HEPARIN-GLUCOSAMINE-bond3" atomRefs="HEPARIN-GLUCOSAMINE-atom3 HEPARIN-GLUCOSAMINE-atom4" order="1"/> <bond id="HEPARIN-GLUCOSAMINE-bond4" atomRefs="HEPARIN-GLUCOSAMINE-atom4 HEPARIN-GLUCOSAMINE-atom5" order="1"/> <bond id="HEPARIN-GLUCOSAMINE-bond5" atomRefs="HEPARIN-GLUCOSAMINE-atom5 HEPARIN-GLUCOSAMINE-atom6" order="1"/> <bond id="HEPARIN-GLUCOSAMINE-bond6" atomRefs="HEPARIN-GLUCOSAMINE-atom1 HEPARIN-GLUCOSAMINE-atom6" order="1"/…

CHEBI CHEBI:48692
structure data: InChI%3D1S%2FC15H24O%2Fc1-11-4-9-14%2815%2811%2C2%293%2913-7-5-12%2810-16%296-8-13%2Fh4%2C7%2C12%2C14%2C16H%2C5-6%2C8-10H2%2C1-3H3

CHEBI CHEBI:15382
structure data: InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1

CHEBI CHEBI:48945
structure data: InChI%3D1S%2FC5H12O%2Fc1-3-5%282%294-6%2Fh5-6H%2C3-4H2%2C1-2H3

CHEBI CHEBI:57484
structure data: InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2%2Fp%2B2

CHEBI CHEBI:28627
structure data: InChI%3D1S%2FC12H20O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh3-4%2C6-7%2C9-10%2C13H%2C2%2C5%2C8%2C11-12H2%2C1H3%2Fb4-3-%2C7-6-%2C10-9-

CHEBI CHEBI:17602
structure data: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

biopax-level3ChemicalStructure131411
structure data: <atom id="S-NORLAUDANOSOLINE-atom1" elementType="O" x2="5175.0" y2="0.0"/> <atom id="S-NORLAUDANOSOLINE-atom2" elementType="O" x2="5613.0" y2="-1591.0"/> <atom id="S-NORLAUDANOSOLINE-atom3" elementType="O" x2="0.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom4" elementType="O" x2="0.0" y2="-3174.0"/> <atom id="S-NORLAUDANOSOLINE-atom5" elementType="C" x2="3218.0" y2="-966.0"/> <atom id="S-NORLAUDANOSOLINE-atom6" elementType="C" x2="3798.0" y2="-379.0"/> <atom id="S-NORLAUDANOSOLINE-atom7" elementType="C" x2="4236.0" y2="-1970.0"/> <atom id="S-NORLAUDANOSOLINE-atom8" elementType="C" x2="1429.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom9" elementType="C" x2="1429.0" y2="-3174.0"/> <atom id="S-NORLAUDANOSOLINE-atom10" elementType="C" x2="3572.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom11" elementType="C" x2="2858.0" y2="-4824.0"/> <atom id="S-NORLAUDANOSOLINE-atom12" elementType="C" x2="2858.0" y2="-2349.0"/> <atom id="S-NORLAUDANOSOLINE-atom13" elementType="N" x2="3572.0" y2="-3586.0" formalCharge="1"/> <atom id="S-NORLAUDANOSOLINE-atom14" elementType="C" x2="3437.0" y2="-1761.0"/> <atom id="S-NORLAUDANOSOLINE-atom15" elementType="C" x2="4596.0" y2="-587.0"/> <atom id="S-NORLAUDANOSOLINE-atom16" elementType="C" x2="4815.0" y2="-1382.0"/> <atom id="S-NORLAUDANOSOLINE-atom17" elementType="C" x2="714.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom18" elementType="C" x2="714.0" y2="-3586.0"/> <atom id="S-NORLAUDANOSOLINE-atom19" elementType="C" x2="2143.0" y2="-4411.0"/> <atom id="S-NORLAUDANOSOLINE-atom20" elementType="C" x2="2143.0" y2="-3586.0"/> <atom id="S-NORLAUDANOSOLINE-atom21" elementType="C" x2="2858.0" y2="-3174.0"/> <bond id="S-NORLAUDANOSOLINE-bond1" atomRefs="S-NORLAUDANOSOLINE-atom20 S-NORLAUDANOSOLINE-atom21" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond2" atomRefs="S-NORLAUDANOSOLINE-atom20 S-NORLAUDANOSOLINE-atom19" order="1"/> <bond id="S-NORLAUDANOSOLINE-bond3" atomRefs="S-NORLAUDANOSOLINE-atom17 S-NORLAUDANOSOLINE-atom18" order=…

CHEBI CHEBI:58967
structure data: InChI%3D1S%2FC9H16O2%2Fc1-2-3-4-6-9%2811%297-5-8-10%2Fh5%2C7-9%2C11H%2C2-4%2C6H2%2C1H3%2Fb7-5%2B%2Ft9-%2Fm0%2Fs1

biopax-level3ChemicalStructure146968
structure data: <atom id="CPD-4584-atom1" elementType="O" x2="1395.0" y2="-1180.0"/> <atom id="CPD-4584-atom2" elementType="O" x2="1408.0" y2="0.0"/> <atom id="CPD-4584-atom3" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-4584-atom4" elementType="V" x2="825.0" y2="-583.0"/> <bond id="CPD-4584-bond1" atomRefs="CPD-4584-atom3 CPD-4584-atom4" order="1"/> <bond id="CPD-4584-bond2" atomRefs="CPD-4584-atom2 CPD-4584-atom4" order="2"/> <bond id="CPD-4584-bond3" atomRefs="CPD-4584-atom1 CPD-4584-atom4" order="2"/> <formula concise="H 1 V 1 O 3"/> 99.946 O=[V](=O)O

biopax-level3ChemicalStructure161839
structure data: <atom id="CYS-GLY-atom1" elementType="N" x2="22542.0" y2="-23913.0"/> <atom id="CYS-GLY-atom2" elementType="N" x2="497.0" y2="-19926.0" formalCharge="1"/> <atom id="CYS-GLY-atom3" elementType="C" x2="29892.0" y2="-11086.0"/> <atom id="CYS-GLY-atom4" elementType="C" x2="29892.0" y2="-19926.0"/> <atom id="CYS-GLY-atom5" elementType="O" x2="15319.0" y2="-11706.0"/> <atom id="CYS-GLY-atom6" elementType="C" x2="7596.0" y2="-32133.0"/> <atom id="CYS-GLY-atom7" elementType="C" x2="7596.0" y2="-23913.0"/> <atom id="CYS-GLY-atom8" elementType="S" x2="1244.0" y2="-37364.0"/> <atom id="CYS-GLY-atom9" elementType="C" x2="15319.0" y2="-19926.0"/> <atom id="CYS-GLY-atom10" elementType="O" x2="22419.0" y2="-7723.0"/> <atom id="CYS-GLY-atom11" elementType="O" x2="37240.0" y2="-7596.0" formalCharge="-1"/> <bond id="CYS-GLY-bond1" atomRefs="CYS-GLY-atom1 CYS-GLY-atom9" order="1"/> <bond id="CYS-GLY-bond2" atomRefs="CYS-GLY-atom2 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond3" atomRefs="CYS-GLY-atom3 CYS-GLY-atom4" order="1"/> <bond id="CYS-GLY-bond4" atomRefs="CYS-GLY-atom4 CYS-GLY-atom1" order="1"/> <bond id="CYS-GLY-bond5" atomRefs="CYS-GLY-atom5 CYS-GLY-atom9" order="2"/> <bond id="CYS-GLY-bond6" atomRefs="CYS-GLY-atom6 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond7" atomRefs="CYS-GLY-atom8 CYS-GLY-atom6" order="1"/> <bond id="CYS-GLY-bond8" atomRefs="CYS-GLY-atom9 CYS-GLY-atom7" order="1"/> <bond id="CYS-GLY-bond9" atomRefs="CYS-GLY-atom10 CYS-GLY-atom3" order="2"/> <bond id="CYS-GLY-bond10" atomRefs="CYS-GLY-atom11 CYS-GLY-atom3" order="1"/> <formula concise="H 10 S 1 O 3 C 5 N 2"/> 178.206 C(NC(C(CS)[N+])=O)C([O-])=O

biopax-level3ChemicalStructure133029
structure data: <cml> <molecule id="CPD66-39" title="a 2,3,4-saturated fatty acid" formalCharge="-1"> <atomArray> <atom id="CPD66-39-atom1" elementType="C" x2="3684.0" y2="3502.0"/> <atom id="CPD66-39-atom2" elementType="C" x2="-2959.0" y2="-1390.0"/> <atom id="CPD66-39-atom3" elementType="O" x2="-11233.0" y2="3502.0" formalCharge="-1"/> <atom id="CPD66-39-atom4" elementType="O" x2="-2959.0" y2="-11233.0"/> <atom id="CPD66-39-atom5" elementType="C" x2="10829.0" y2="-623.0"/> <atom id="CPD66-39-atom6" elementType="C" x2="16762.0" y2="3916.0"/> <atom id="CPD66-39-atom7" elementType="R" x2="23608.0" y2="-1006.0"/> </atomArray> <bondArray> <bond id="CPD66-39-bond1" atomRefs="CPD66-39-atom4 CPD66-39-atom2" order="2"/> <bond id="CPD66-39-bond2" atomRefs="CPD66-39-atom3 CPD66-39-atom2" order="1"/> <bond id="CPD66-39-bond3" atomRefs="CPD66-39-atom2 CPD66-39-atom1" order="1"/> <bond id="CPD66-39-bond4" atomRefs="CPD66-39-atom1 CPD66-39-atom5" order="1"/> <bond id="CPD66-39-bond5" atomRefs="CPD66-39-atom5 CPD66-39-atom6" order="1"/> <bond id="CPD66-39-bond6" atomRefs="CPD66-39-atom6 CPD66-39-atom7" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([R])CCC([O-])=O</string> </molecule> </cml>

CHEBI CHEBI:15710
structure data: InChI%3D1S%2FC5H12NO%2Fc1-6%282%2C3%294-5-7%2Fh5H%2C4H2%2C1-3H3%2Fq%2B1

CHEBI CHEBI:63196
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%299-12-11%2813%295-8-14%283%296-4-7-15%2812%2C16%2910-14%2Fh11-12%2C16H%2C4-10H2%2C1-3H3%2Ft11-%2C12%2B%2C14%2B%2C15-%2Fm0%2Fs1

CHEBI CHEBI:32360
structure data: InChI%3D1S%2FC20H40O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh2-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1

CHEBI CHEBI:38816
structure data: InChI%3D1S%2FC9H7NO3%2Fc11-5-10-8%2812%296-3-1-2-4-7%286%299%2810%2913%2Fh1-4%2C11H%2C5H2

CHEBI CHEBI:55358
structure data: InChI%3D1S%2FC5H10N2O2%2Fc8-5%289%294-3-6-1-2-7-4%2Fh4%2C6-7H%2C1-3H2%2C%28H%2C8%2C9%29%2Fp-1%2Ft4-%2Fm1%2Fs1

biopax-level3ChemicalStructure126355
structure data: <atom id="SER-atom1" elementType="C" x2="1396.0" y2="1037.0"/> <atom id="SER-atom2" elementType="C" x2="1326.0" y2="993.0"/> <atom id="SER-atom3" elementType="C" x2="1467.0" y2="996.0"/> <atom id="SER-atom4" elementType="N" x2="1398.0" y2="1120.0" formalCharge="1"/> <atom id="SER-atom5" elementType="O" x2="1254.0" y2="1033.0" formalCharge="-1"/> <atom id="SER-atom6" elementType="O" x2="1328.0" y2="910.0"/> <atom id="SER-atom7" elementType="O" x2="1540.0" y2="1039.0"/> <bond id="SER-bond1" atomRefs="SER-atom1 SER-atom2" order="1"/> <bond id="SER-bond2" atomRefs="SER-atom1 SER-atom3" order="1"/> <bond id="SER-bond3" atomRefs="SER-atom1 SER-atom4" order="1"/> <bond id="SER-bond4" atomRefs="SER-atom2 SER-atom5" order="1"/> <bond id="SER-bond5" atomRefs="SER-atom2 SER-atom6" order="2"/> <bond id="SER-bond6" atomRefs="SER-atom3 SER-atom7" order="1"/> <formula concise="H 7 O 3 N 1 C 3"/> 105.093 C(=O)([O-])C([N+])CO

CHEBI CHEBI:58966
structure data: InChI%3D1S%2FC16H32O2%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2817%2918%2Fh13-15H%2C5-12H2%2C1-4H3%2C%28H%2C17%2C18%29

CHEBI CHEBI:38360
structure data: InChI%3D1S%2FC6H8O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H%2C1H3%2C%28H%2C7%2C8%29%2Fb3-2%2B%2C5-4-

biopax-level3ChemicalStructure131438
structure data: <atom id="Deoxynucleotides-atom1" elementType="O" x2="2467700.0" y2="-1986600.0"/> <atom id="Deoxynucleotides-atom2" elementType="O" x2="4449200.0" y2="-1300.0"/> <atom id="Deoxynucleotides-atom3" elementType="O" x2="2465200.0" y2="-340900.0" formalCharge="-1"/> <atom id="Deoxynucleotides-atom4" elementType="Bases" x2="6935800.0" y2="-2577500.0"/> <atom id="Deoxynucleotides-atom5" elementType="C" x2="3904300.0" y2="-1709900.0"/> <atom id="Deoxynucleotides-atom6" elementType="O" x2="3290500.0" y2="-1161800.0"/> <atom id="Deoxynucleotides-atom7" elementType="O" x2="5346700.0" y2="-1931700.0"/> <atom id="Deoxynucleotides-atom8" elementType="O" x2="1644000.0" y2="-1163600.0" formalCharge="-1"/> <atom id="Deoxynucleotides-atom9" elementType="C" x2="5762600.0" y2="-665200.0"/> <atom id="Deoxynucleotides-atom10" elementType="C" x2="4935300.0" y2="-665200.0"/> <atom id="Deoxynucleotides-atom11" elementType="C" x2="6017000.0" y2="-1452500.0"/> <atom id="Deoxynucleotides-atom12" elementType="C" x2="4685600.0" y2="-1452500.0"/> <atom id="Deoxynucleotides-atom13" elementType="P" x2="2466800.0" y2="-1163600.0"/> <bond id="Deoxynucleotides-bond1" atomRefs="Deoxynucleotides-atom10 Deoxynucleotides-atom12" order="1"/> <bond id="Deoxynucleotides-bond2" atomRefs="Deoxynucleotides-atom9 Deoxynucleotides-atom11" order="1"/> <bond id="Deoxynucleotides-bond3" atomRefs="Deoxynucleotides-atom9 Deoxynucleotides-atom10" order="1"/> <bond id="Deoxynucleotides-bond4" atomRefs="Deoxynucleotides-atom8 Deoxynucleotides-atom13" order="1"/> <bond id="Deoxynucleotides-bond5" atomRefs="Deoxynucleotides-atom7 Deoxynucleotides-atom12" order="1"/> <bond id="Deoxynucleotides-bond6" atomRefs="Deoxynucleotides-atom7 Deoxynucleotides-atom11" order="1"/> <bond id="Deoxynucleotides-bond7" atomRefs="Deoxynucleotides-atom6 Deoxynucleotides-atom13" order="1"/> <bond id="Deoxynucleotides-bond8" atomRefs="Deoxynucleotides-atom12 Deoxynucleotides-atom5" order="1"/> <bond id="Deoxynucleotides-bond9" atomRefs="Deoxyn…

biopax-level3ChemicalStructure136470
structure data: <atom id="AICAR-atom1" elementType="N" x2="412080.0" y2="269580.0"/> <atom id="AICAR-atom2" elementType="C" x2="403330.0" y2="397080.0"/> <atom id="AICAR-atom3" elementType="C" x2="478330.0" y2="220830.0"/> <atom id="AICAR-atom4" elementType="C" x2="453330.0" y2="142920.0"/> <atom id="AICAR-atom5" elementType="N" x2="370420.0" y2="142920.0"/> <atom id="AICAR-atom6" elementType="C" x2="377920.0" y2="475830.0"/> <atom id="AICAR-atom7" elementType="C" x2="345420.0" y2="220830.0"/> <atom id="AICAR-atom8" elementType="O" x2="336670.0" y2="349170.0"/> <atom id="AICAR-atom9" elementType="P" x2="33080.0" y2="350980.0"/> <atom id="AICAR-atom10" elementType="C" x2="269580.0" y2="397080.0"/> <atom id="AICAR-atom11" elementType="C" x2="295420.0" y2="475830.0"/> <atom id="AICAR-atom12" elementType="C" x2="501670.0" y2="75830.0"/> <atom id="AICAR-atom13" elementType="C" x2="198080.0" y2="350980.0"/> <atom id="AICAR-atom14" elementType="O" x2="115580.0" y2="350980.0"/> <atom id="AICAR-atom15" elementType="O" x2="32670.0" y2="433480.0" formalCharge="-1"/> <atom id="AICAR-atom16" elementType="O" x2="-49420.0" y2="350570.0" formalCharge="-1"/> <atom id="AICAR-atom17" elementType="O" x2="32670.0" y2="268480.0"/> <atom id="AICAR-atom18" elementType="N" x2="549580.0" y2="262080.0"/> <atom id="AICAR-atom19" elementType="O" x2="468330.0" y2="830.0"/> <atom id="AICAR-atom20" elementType="O" x2="427080.0" y2="543330.0"/> <atom id="AICAR-atom21" elementType="N" x2="583330.0" y2="84580.0"/> <atom id="AICAR-atom22" elementType="O" x2="245830.0" y2="544170.0"/> <bond id="AICAR-bond1" atomRefs="AICAR-atom2 AICAR-atom1" order="1"/> <bond id="AICAR-bond2" atomRefs="AICAR-atom3 AICAR-atom1" order="1"/> <bond id="AICAR-bond3" atomRefs="AICAR-atom4 AICAR-atom3" order="2"/> <bond id="AICAR-bond4" atomRefs="AICAR-atom5 AICAR-atom7" order="2"/> <bond id="AICAR-bond5" atomRefs="AICAR-atom6 AICAR-atom2" order="1"/> <bond id="AICAR-bond6" atomRefs="AICAR-atom7 AICAR-atom1" order="1"/> <bond id="AICAR-bond7…

biopax-level3ChemicalStructure134161
structure data: <atom id="CPD-7222-atom1" elementType="N" x2="58532.0" y2="22372.0"/> <atom id="CPD-7222-atom2" elementType="C" x2="55234.0" y2="36526.0"/> <atom id="CPD-7222-atom3" elementType="C" x2="44377.0" y2="22372.0"/> <atom id="CPD-7222-atom4" elementType="C" x2="58532.0" y2="14127.0"/> <atom id="CPD-7222-atom5" elementType="O" x2="48500.0" y2="31578.0"/> <atom id="CPD-7222-atom6" elementType="C" x2="52760.0" y2="44083.0"/> <atom id="CPD-7222-atom7" elementType="C" x2="44377.0" y2="14127.0"/> <atom id="CPD-7222-atom8" elementType="N" x2="37233.0" y2="26494.0"/> <atom id="CPD-7222-atom9" elementType="N" x2="51523.0" y2="10005.0"/> <atom id="CPD-7222-atom10" elementType="C" x2="41767.0" y2="36388.0"/> <atom id="CPD-7222-atom11" elementType="C" x2="44377.0" y2="44083.0"/> <atom id="CPD-7222-atom12" elementType="O" x2="57432.0" y2="50679.0"/> <atom id="CPD-7222-atom13" elementType="C" x2="37233.0" y2="10005.0"/> <atom id="CPD-7222-atom14" elementType="C" x2="30086.0" y2="22372.0"/> <atom id="CPD-7222-atom15" elementType="C" x2="34209.0" y2="33914.0"/> <atom id="CPD-7222-atom16" elementType="O" x2="40255.0" y2="49992.0"/> <atom id="CPD-7222-atom17" elementType="N" x2="30086.0" y2="14127.0"/> <atom id="CPD-7222-atom18" elementType="N" x2="37233.0" y2="1898.0"/> <atom id="CPD-7222-atom19" elementType="O" x2="23079.0" y2="39274.0"/> <atom id="CPD-7222-atom20" elementType="P" x2="31598.0" y2="49854.0"/> <atom id="CPD-7222-atom21" elementType="P" x2="10161.0" y2="39412.0"/> <atom id="CPD-7222-atom22" elementType="O" x2="31405.0" y2="41583.0" formalCharge="-1"/> <atom id="CPD-7222-atom23" elementType="O" x2="23629.0" y2="50129.0" formalCharge="-1"/> <atom id="CPD-7222-atom24" elementType="O" x2="31598.0" y2="58100.0"/> <atom id="CPD-7222-atom25" elementType="O" x2="10161.0" y2="56588.0"/> <atom id="CPD-7222-atom26" elementType="O" x2="10161.0" y2="31166.0" formalCharge="-1"/> <atom id="CPD-7222-atom27" elementType="O" x2="1917.0" y2="39274.0"/> <atom id="CPD-7222-atom28" elementType="…

biopax-level3ChemicalStructure147482
structure data: <atom id="CPD-6661-atom1" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="CPD-6661-atom2" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-6661-atom3" elementType="O" x2="1490.0" y2="-4918.0"/> <atom id="CPD-6661-atom4" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-6661-atom5" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="CPD-6661-atom6" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="CPD-6661-atom7" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-6661-atom8" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-6661-atom9" elementType="O" x2="2563.0" y2="-5269.0" formalCharge="-1"/> <atom id="CPD-6661-atom10" elementType="O" x2="1834.0" y2="-3789.0" formalCharge="-1"/> <atom id="CPD-6661-atom11" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-6661-atom12" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="CPD-6661-atom13" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="CPD-6661-atom14" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-6661-atom15" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-6661-atom16" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-6661-atom17" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-6661-atom18" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-6661-atom19" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-6661-atom20" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="CPD-6661-atom21" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="CPD-6661-atom22" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="CPD-6661-atom23" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="CPD-6661-atom24" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="CPD-6661-atom25" elementType="P" x2="4365.0" y2="-5775.0"/> <atom id="CPD-6661-atom26" elementType="P" x2="4365.0" y2="-825.0"/> <atom id="CPD-6661-atom27" elementType="P" x2="2213.…

CHEBI CHEBI:42820
structure data: InChI%3D1S%2FCH5N3%2Fc2-1%283%294%2Fh%28H5%2C2%2C3%2C4%29

biopax-level3ChemicalStructure173887
structure data: <atom id="CPD-3189-atom1" elementType="C" x2="5716.0" y2="-1238.0"/> <atom id="CPD-3189-atom2" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3189-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3189-atom4" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3189-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3189-atom6" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3189-atom7" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3189-atom8" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3189-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3189-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3189-atom11" elementType="N" x2="5001.0" y2="-1650.0" formalCharge="1"/> <atom id="CPD-3189-atom12" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-3189-atom13" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="CPD-3189-bond1" atomRefs="CPD-3189-atom12 CPD-3189-atom13" order="1"/> <bond id="CPD-3189-bond2" atomRefs="CPD-3189-atom9 CPD-3189-atom12" order="1"/> <bond id="CPD-3189-bond3" atomRefs="CPD-3189-atom8 CPD-3189-atom11" order="1"/> <bond id="CPD-3189-bond4" atomRefs="CPD-3189-atom7 CPD-3189-atom9" order="1"/> <bond id="CPD-3189-bond5" atomRefs="CPD-3189-atom7 CPD-3189-atom8" order="1"/> <bond id="CPD-3189-bond6" atomRefs="CPD-3189-atom13 CPD-3189-atom6" order="2"/> <bond id="CPD-3189-bond7" atomRefs="CPD-3189-atom6 CPD-3189-atom10" order="1"/> <bond id="CPD-3189-bond8" atomRefs="CPD-3189-atom5 CPD-3189-atom13" order="1"/> <bond id="CPD-3189-bond9" atomRefs="CPD-3189-atom10 CPD-3189-atom4" order="2"/> <bond id="CPD-3189-bond10" atomRefs="CPD-3189-atom3 CPD-3189-atom5" order="2"/> <bond id="CPD-3189-bond11" atomRefs="CPD-3189-atom4 CPD-3189-atom3" order="1"/> <bond id="CPD-3189-bond12" atomRefs="CPD-3189-atom2 CPD-3189-atom12" order="2"/> <bond id="CPD-3189-bond13" atomRefs="CPD-3189-atom1 CPD-3189-atom11" order="1"/> <formula concise="H 15 N 2 O 1 C 10"/> 179.241 C1(N=CC=…

CHEBI CHEBI:62605
structure data: InChI%3D1S%2FC12H8O4S%2Fc13-8%2812%2815%2916%295-6-10-11%2814%297-3-1-2-4-9%287%2917-10%2Fh1-6%2C14H%2C%28H%2C15%2C16%29%2Fb6-5-

biopax-level3ChemicalStructure174183
structure data: <atom id="CPD-8652-atom1" elementType="C" x2="-54371.0" y2="-7752.0"/> <atom id="CPD-8652-atom2" elementType="C" x2="-61516.0" y2="-3627.0"/> <atom id="CPD-8652-atom3" elementType="C" x2="-61516.0" y2="4623.0"/> <atom id="CPD-8652-atom4" elementType="C" x2="-54371.0" y2="8748.0"/> <atom id="CPD-8652-atom5" elementType="C" x2="-47226.0" y2="-3627.0"/> <atom id="CPD-8652-atom6" elementType="N" x2="-39380.0" y2="-6177.0"/> <atom id="CPD-8652-atom7" elementType="C" x2="-47226.0" y2="4623.0"/> <atom id="CPD-8652-atom8" elementType="C" x2="-39380.0" y2="7172.0"/> <atom id="CPD-8652-atom9" elementType="C" x2="-34531.0" y2="498.0"/> <atom id="CPD-8652-atom10" elementType="O" x2="-68660.0" y2="-7752.0"/> <atom id="CPD-8652-atom11" elementType="O" x2="-68660.0" y2="8748.0"/> <atom id="CPD-8652-atom12" elementType="C" x2="-26281.0" y2="498.0"/> <atom id="CPD-8652-atom13" elementType="O" x2="-22156.0" y2="-6647.0"/> <atom id="CPD-8652-atom14" elementType="O" x2="-24146.0" y2="8467.0" formalCharge="-1"/> <bond id="CPD-8652-bond1" atomRefs="CPD-8652-atom1 CPD-8652-atom2" order="2"/> <bond id="CPD-8652-bond2" atomRefs="CPD-8652-atom2 CPD-8652-atom3" order="1"/> <bond id="CPD-8652-bond3" atomRefs="CPD-8652-atom3 CPD-8652-atom4" order="2"/> <bond id="CPD-8652-bond4" atomRefs="CPD-8652-atom4 CPD-8652-atom7" order="1"/> <bond id="CPD-8652-bond5" atomRefs="CPD-8652-atom1 CPD-8652-atom5" order="1"/> <bond id="CPD-8652-bond6" atomRefs="CPD-8652-atom6 CPD-8652-atom5" order="1"/> <bond id="CPD-8652-bond7" atomRefs="CPD-8652-atom7 CPD-8652-atom8" order="1"/> <bond id="CPD-8652-bond8" atomRefs="CPD-8652-atom8 CPD-8652-atom9" order="1"/> <bond id="CPD-8652-bond9" atomRefs="CPD-8652-atom6 CPD-8652-atom9" order="1"/> <bond id="CPD-8652-bond10" atomRefs="CPD-8652-atom5 CPD-8652-atom7" order="2"/> <bond id="CPD-8652-bond11" atomRefs="CPD-8652-atom2 CPD-8652-atom10" order="1"/> <bond id="CPD-8652-bond12" atomRefs="CPD-8652-atom3 CPD-8652-atom11" order="1"/> <bond id="CPD-8652-bond13" atomRefs="CPD…

biopax-level3ChemicalStructure170439
structure data: <atom id="CPD-7713-atom1" elementType="C" x2="0.0" y2="-2488.0"/> <atom id="CPD-7713-atom2" elementType="C" x2="4810.0" y2="-3011.0"/> <atom id="CPD-7713-atom3" elementType="C" x2="2858.0" y2="-2488.0"/> <atom id="CPD-7713-atom4" elementType="C" x2="2858.0" y2="-5788.0"/> <atom id="CPD-7713-atom5" elementType="C" x2="2144.0" y2="-6201.0"/> <atom id="CPD-7713-atom6" elementType="C" x2="3803.0" y2="-4298.0"/> <atom id="CPD-7713-atom7" elementType="C" x2="2727.0" y2="-4309.0"/> <atom id="CPD-7713-atom8" elementType="C" x2="3572.0" y2="-4551.0"/> <atom id="CPD-7713-atom9" elementType="O" x2="714.0" y2="-2076.0"/> <atom id="CPD-7713-atom10" elementType="O" x2="714.0" y2="-6201.0"/> <atom id="CPD-7713-atom11" elementType="C" x2="1429.0" y2="-2488.0"/> <atom id="CPD-7713-atom12" elementType="C" x2="2858.0" y2="-3313.0"/> <atom id="CPD-7713-atom13" elementType="C" x2="1429.0" y2="-4963.0"/> <atom id="CPD-7713-atom14" elementType="C" x2="2858.0" y2="-4963.0"/> <atom id="CPD-7713-atom15" elementType="C" x2="1429.0" y2="-5788.0"/> <atom id="CPD-7713-atom16" elementType="C" x2="2144.0" y2="-4551.0"/> <atom id="CPD-7713-atom17" elementType="N" x2="4398.0" y2="-3726.0" formalCharge="1"/> <atom id="CPD-7713-atom18" elementType="C" x2="2144.0" y2="-2076.0"/> <atom id="CPD-7713-atom19" elementType="C" x2="3572.0" y2="-3726.0"/> <atom id="CPD-7713-atom20" elementType="C" x2="2144.0" y2="-3726.0"/> <atom id="CPD-7713-atom21" elementType="O" x2="777.0" y2="-4269.0"/> <atom id="CPD-7713-atom22" elementType="C" x2="1429.0" y2="-3313.0"/> <bond id="CPD-7713-bond1" atomRefs="CPD-7713-atom21 CPD-7713-atom22" order="1"/> <bond id="CPD-7713-bond2" atomRefs="CPD-7713-atom1 CPD-7713-atom9" order="1"/> <bond id="CPD-7713-bond3" atomRefs="CPD-7713-atom2 CPD-7713-atom17" order="1"/> <bond id="CPD-7713-bond4" atomRefs="CPD-7713-atom21 CPD-7713-atom13" order="1"/> <bond id="CPD-7713-bond5" atomRefs="CPD-7713-atom3 CPD-7713-atom12" order="2"/> <bond id="CPD-7713-bond6" atomRefs="CPD-7713-atom3 CPD-77…

biopax-level3ChemicalStructure147601
structure data: <cml> <molecule id="Phosphoserines" title="L(or D)-O-phosphoserine" formalCharge="-3" dictRef="dictPhosphoserines"> <atomArray> <atom id="Phosphoserines-atom1" elementType="C" x2="-8220.0" y2="-854.0"/> <atom id="Phosphoserines-atom2" elementType="C" x2="-8935.0" y2="-442.0"/> <atom id="Phosphoserines-atom3" elementType="C" x2="-8935.0" y2="383.0"/> <atom id="Phosphoserines-atom4" elementType="O" x2="-8220.0" y2="796.0"/> <atom id="Phosphoserines-atom5" elementType="O" x2="-7506.0" y2="-442.0"/> <atom id="Phosphoserines-atom6" elementType="O" x2="-8220.0" y2="-1680.0" formalCharge="-1"/> <atom id="Phosphoserines-atom7" elementType="N" x2="-9650.0" y2="-854.0"/> <atom id="Phosphoserines-atom8" elementType="P" x2="-8220.0" y2="1621.0"/> <atom id="Phosphoserines-atom9" elementType="O" x2="-7396.0" y2="1621.0" formalCharge="-1"/> <atom id="Phosphoserines-atom10" elementType="O" x2="-9046.0" y2="1621.0" formalCharge="-1"/> <atom id="Phosphoserines-atom11" elementType="O" x2="-8220.0" y2="2446.0"/> </atomArray> <bondArray> <bond id="Phosphoserines-bond1" atomRefs="Phosphoserines-atom1 Phosphoserines-atom2" order="1"/> <bond id="Phosphoserines-bond2" atomRefs="Phosphoserines-atom2 Phosphoserines-atom3" order="1"/> <bond id="Phosphoserines-bond3" atomRefs="Phosphoserines-atom3 Phosphoserines-atom4" order="1"/> <bond id="Phosphoserines-bond4" atomRefs="Phosphoserines-atom1 Phosphoserines-atom5" order="2"/> <bond id="Phosphoserines-bond5" atomRefs="Phosphoserines-atom1 Phosphoserines-atom6" order="1"/> <bond id="Phosphoserines-bond6" atomRefs="Phosphoserines-atom2 Phosphoserines-atom7" order="1"/> <bond id="Phosphoserines-bond7" atomRefs="Phosphoserines-atom4 Phosphoserines-atom8" order="1"/> <bond id="Phosphoserines-bond8" atomRefs="Phosphoserines-atom8 Phosphoserines-atom9" order="1"/> <bond id="Phosphoserines-bond9" atomRefs="Phosphoserines-atom8 Phosphoserines-atom10" order="1"/> <bond id="Phosphoserines-bond10" atomRefs="Phosphoserines-atom8 Phosphoserines-atom11" order=…

CHEBI CHEBI:57427
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1

CHEBI CHEBI:15603
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1

biopax-level3ChemicalStructure140652
structure data: <cml> <molecule id="Protein-L-Arginines" title="a [protein]-L-arginine" formalCharge="0" dictRef="dictProtein-L-Arginines"> <atomArray> <atom id="Protein-L-Arginines-atom1" elementType="C" x2="3830.0" y2="-11918.0"/> <atom id="Protein-L-Arginines-atom2" elementType="C" x2="-17453.0" y2="-24156.0"/> <atom id="Protein-L-Arginines-atom3" elementType="O" x2="-24476.0" y2="-20005.0"/> <atom id="Protein-L-Arginines-atom4" elementType="C" x2="25113.0" y2="-7767.0"/> <atom id="Protein-L-Arginines-atom5" elementType="Protein" x2="-17877.0" y2="-32350.0"/> <atom id="Protein-L-Arginines-atom6" elementType="C" x2="10960.0" y2="-7767.0"/> <atom id="Protein-L-Arginines-atom7" elementType="Protein" x2="-32350.0" y2="-7023.0"/> <atom id="Protein-L-Arginines-atom8" elementType="O" x2="-17453.0" y2="427.0"/> <atom id="Protein-L-Arginines-atom9" elementType="N" x2="-10323.0" y2="-20005.0"/> <atom id="Protein-L-Arginines-atom10" elementType="C" x2="-3193.0" y2="-7767.0"/> <atom id="Protein-L-Arginines-atom11" elementType="N" x2="18090.0" y2="-11918.0"/> <atom id="Protein-L-Arginines-atom12" elementType="N" x2="-24476.0" y2="-11918.0"/> <atom id="Protein-L-Arginines-atom13" elementType="N" x2="25113.0" y2="427.0"/> <atom id="Protein-L-Arginines-atom14" elementType="C" x2="-10323.0" y2="-11918.0"/> <atom id="Protein-L-Arginines-atom15" elementType="C" x2="-17453.0" y2="-7767.0"/> <atom id="Protein-L-Arginines-atom16" elementType="N" x2="32243.0" y2="-11918.0"/> </atomArray> <bondArray> <bond id="Protein-L-Arginines-bond1" atomRefs="Protein-L-Arginines-atom1 Protein-L-Arginines-atom10" order="1"/> <bond id="Protein-L-Arginines-bond2" atomRefs="Protein-L-Arginines-atom1 Protein-L-Arginines-atom6" order="1"/> <bond id="Protein-L-Arginines-bond3" atomRefs="Protein-L-Arginines-atom2 Protein-L-Arginines-atom5" order="1"/> <bond id="Protein-L-Arginines-bond4" atomRefs="Protein-L-Arginines-atom3 Protein-L-Arginines-atom2" order="2"/> <bond id="Protein-L-Arginines-bond5" atomRefs="Protein-L-Argin…

CHEBI CHEBI:2124
structure data: InChI%3D1S%2FC8H7NO3%2Fc1-4-7%2810%296-3-12-8%2811%295%286%292-9-4%2Fh2%2C10H%2C3H2%2C1H3

biopax-level3ChemicalStructure142437
structure data: <cml> <molecule id="Proteins-L-Threonines" title="a [protein]-L-threonine" formalCharge="0"> <atomArray> <atom id="Proteins-L-Threonines-atom1" elementType="Protein" x2="12828.0" y2="5322.0"/> <atom id="Proteins-L-Threonines-atom2" elementType="C" x2="5683.0" y2="9447.0"/> <atom id="Proteins-L-Threonines-atom3" elementType="O" x2="5683.0" y2="17697.0"/> <atom id="Proteins-L-Threonines-atom4" elementType="N" x2="-8606.0" y2="9447.0"/> <atom id="Proteins-L-Threonines-atom5" elementType="Protein" x2="-15751.0" y2="5322.0"/> <atom id="Proteins-L-Threonines-atom6" elementType="C" x2="-1461.0" y2="5322.0"/> <atom id="Proteins-L-Threonines-atom7" elementType="C" x2="-1461.0" y2="-2928.0"/> <atom id="Proteins-L-Threonines-atom8" elementType="C" x2="5684.0" y2="-7053.0"/> <atom id="Proteins-L-Threonines-atom9" elementType="O" x2="-8606.0" y2="-7053.0"/> </atomArray> <bondArray> <bond id="Proteins-L-Threonines-bond1" atomRefs="Proteins-L-Threonines-atom6 Proteins-L-Threonines-atom2" order="1"/> <bond id="Proteins-L-Threonines-bond2" atomRefs="Proteins-L-Threonines-atom2 Proteins-L-Threonines-atom1" order="1"/> <bond id="Proteins-L-Threonines-bond3" atomRefs="Proteins-L-Threonines-atom2 Proteins-L-Threonines-atom3" order="2"/> <bond id="Proteins-L-Threonines-bond4" atomRefs="Proteins-L-Threonines-atom6 Proteins-L-Threonines-atom4" order="1"/> <bond id="Proteins-L-Threonines-bond5" atomRefs="Proteins-L-Threonines-atom4 Proteins-L-Threonines-atom5" order="1"/> <bond id="Proteins-L-Threonines-bond6" atomRefs="Proteins-L-Threonines-atom6 Proteins-L-Threonines-atom7" order="1"/> <bond id="Proteins-L-Threonines-bond7" atomRefs="Proteins-L-Threonines-atom7 Proteins-L-Threonines-atom8" order="1"/> <bond id="Proteins-L-Threonines-bond8" atomRefs="Proteins-L-Threonines-atom7 Proteins-L-Threonines-atom9" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([Protein])C(C(O)C)N[Protein]</string> </molecule> </cml>

biopax-level3ChemicalStructure169438
structure data: <atom id="CPD-8613-atom1" elementType="C" x2="7820.0" y2="-3261.0"/> <atom id="CPD-8613-atom2" elementType="C" x2="8882.0" y2="-4217.0"/> <atom id="CPD-8613-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-8613-atom4" elementType="C" x2="2143.0" y2="-3445.0"/> <atom id="CPD-8613-atom5" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-8613-atom6" elementType="C" x2="908.0" y2="-706.0"/> <atom id="CPD-8613-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-8613-atom8" elementType="O" x2="2811.0" y2="-1016.0" formalCharge="-1"/> <atom id="CPD-8613-atom9" elementType="O" x2="0.0" y2="-1383.0"/> <atom id="CPD-8613-atom10" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-8613-atom11" elementType="C" x2="6716.0" y2="-4487.0"/> <atom id="CPD-8613-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-8613-atom13" elementType="C" x2="2889.0" y2="-3889.0"/> <atom id="CPD-8613-atom14" elementType="C" x2="6164.0" y2="-5100.0"/> <atom id="CPD-8613-atom15" elementType="C" x2="2857.0" y2="-1383.0"/> <atom id="CPD-8613-atom16" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-8613-atom17" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-8613-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-8613-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-8613-atom20" elementType="C" x2="1429.0" y2="-3033.0"/> <atom id="CPD-8613-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-8613-atom22" elementType="C" x2="2012.0" y2="-800.0"/> <atom id="CPD-8613-atom23" elementType="C" x2="3603.0" y2="-2652.0"/> <atom id="CPD-8613-atom24" elementType="C" x2="2889.0" y2="-3064.0"/> <atom id="CPD-8613-atom25" elementType="C" x2="5357.0" y2="-4928.0"/> <atom id="CPD-8613-atom26" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-8613-atom27" elementType="C" x2="4317.0" y2="-3064.0"/> <atom id="CPD-8613-atom28" elementType="C" x2="5102.0" y2="-4144.0"/> <atom id="CPD-8613-atom29" elementType="C" …

CHEBI CHEBI:16659
structure data: InChI%3D1S%2FC3H6O4%2Fc4-1-2%285%293%286%297%2Fh2%2C4-5H%2C1H2%2C%28H%2C6%2C7%29%2Fp-1%2Ft2-%2Fm1%2Fs1

CHEBI CHEBI:16227
structure data: InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H

CHEBI CHEBI:15825
structure data: InChI%3D1S%2FC5H8O%2Fc1-5%282%293-4-6%2Fh3-4H%2C1-2H3

biopax-level3ChemicalStructure139374
structure data: <atom id="CPD-13851-atom1" elementType="O" x2="5317.0" y2="-3307.0"/> <atom id="CPD-13851-atom2" elementType="O" x2="3673.0" y2="-3307.0"/> <atom id="CPD-13851-atom3" elementType="O" x2="7295.0" y2="-1326.0"/> <atom id="CPD-13851-atom4" elementType="O" x2="5315.0" y2="-1665.0" formalCharge="-1"/> <atom id="CPD-13851-atom5" elementType="O" x2="3673.0" y2="-1665.0" formalCharge="-1"/> <atom id="CPD-13851-atom6" elementType="C" x2="9986.0" y2="-4790.0"/> <atom id="CPD-13851-atom7" elementType="C" x2="6750.0" y2="-3032.0"/> <atom id="CPD-13851-atom8" elementType="N" x2="9504.0" y2="-5466.0"/> <atom id="CPD-13851-atom9" elementType="N" x2="7994.0" y2="-3960.0"/> <atom id="CPD-13851-atom10" elementType="O" x2="6139.0" y2="-2486.0"/> <atom id="CPD-13851-atom11" elementType="O" x2="8190.0" y2="-3252.0"/> <atom id="CPD-13851-atom12" elementType="O" x2="4495.0" y2="-2487.0"/> <atom id="CPD-13851-atom13" elementType="C" x2="7283.0" y2="-4379.0"/> <atom id="CPD-13851-atom14" elementType="C" x2="7994.0" y2="-5621.0"/> <atom id="CPD-13851-atom15" elementType="C" x2="8714.0" y2="-5210.0"/> <atom id="CPD-13851-atom16" elementType="C" x2="8714.0" y2="-4379.0"/> <atom id="CPD-13851-atom17" elementType="C" x2="7531.0" y2="-2774.0"/> <atom id="CPD-13851-atom18" elementType="C" x2="7780.0" y2="-1989.0"/> <atom id="CPD-13851-atom19" elementType="C" x2="8606.0" y2="-1989.0"/> <atom id="CPD-13851-atom20" elementType="C" x2="8858.0" y2="-2774.0"/> <atom id="CPD-13851-atom21" elementType="N" x2="7283.0" y2="-5210.0"/> <atom id="CPD-13851-atom22" elementType="N" x2="9502.0" y2="-4131.0"/> <atom id="CPD-13851-atom23" elementType="P" x2="5317.0" y2="-2487.0"/> <atom id="CPD-13851-atom24" elementType="P" x2="3673.0" y2="-2487.0"/> <atom id="CPD-13851-atom25" elementType="O" x2="2854.0" y2="-2485.0"/> <atom id="CPD-13851-atom26" elementType="O" x2="2029.0" y2="-3309.0"/> <atom id="CPD-13851-atom27" elementType="O" x2="2029.0" y2="-1659.0" formalCharge="-1"/> <atom id="CPD-13851-atom28" elementTyp…

CHEBI CHEBI:6550
structure data: InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29

biopax-level3ChemicalStructure162547
structure data: <cml> <molecule id="CPD-426" title="an N-acylglycine" formalCharge="0" dictRef="dictCPD-426"> <atomArray> <atom id="CPD-426-atom1" elementType="N" x2="3754.0" y2="-2482.0"/> <atom id="CPD-426-atom2" elementType="C" x2="3766.0" y2="-1721.0"/> <atom id="CPD-426-atom3" elementType="C" x2="4459.0" y2="-1478.0"/> <atom id="CPD-426-atom4" elementType="O" x2="4459.0" y2="-747.0"/> <atom id="CPD-426-atom5" elementType="C" x2="2932.0" y2="-3117.0"/> <atom id="CPD-426-atom6" elementType="R" x2="2945.0" y2="-3892.0"/> <atom id="CPD-426-atom7" elementType="O" x2="2284.0" y2="-2739.0"/> <atom id="CPD-426-atom8" elementType="O" x2="5071.0" y2="-1912.0"/> </atomArray> <bondArray> <bond id="CPD-426-bond1" atomRefs="CPD-426-atom3 CPD-426-atom8" order="1"/> <bond id="CPD-426-bond2" atomRefs="CPD-426-atom5 CPD-426-atom7" order="2"/> <bond id="CPD-426-bond3" atomRefs="CPD-426-atom5 CPD-426-atom6" order="1"/> <bond id="CPD-426-bond4" atomRefs="CPD-426-atom1 CPD-426-atom5" order="1"/> <bond id="CPD-426-bond5" atomRefs="CPD-426-atom3 CPD-426-atom4" order="2"/> <bond id="CPD-426-bond6" atomRefs="CPD-426-atom2 CPD-426-atom3" order="1"/> <bond id="CPD-426-bond7" atomRefs="CPD-426-atom1 CPD-426-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(CNC([R])=O)(=O)O</string> </molecule> </cml>

biopax-level3ChemicalStructure163996
structure data: <cml> <molecule id="3-carboxy-3-dimethylammonio-propyl-L-his" title="2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine in eEF-2" formalCharge="0" dictRef="dict3-carboxy-3-dimethylammonio-propyl-L-his"> <atomArray> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom1" elementType="C" x2="8733.0" y2="-3874.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom2" elementType="C" x2="9685.0" y2="-4940.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom3" elementType="N" x2="4059.0" y2="-1469.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom4" elementType="eEF-2" x2="6193.0" y2="-1926.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom5" elementType="O" x2="7838.0" y2="-6588.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom6" elementType="O" x2="5505.0" y2="-673.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom7" elementType="O" x2="9237.0" y2="-6298.0" formalCharge="-1"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom8" elementType="C" x2="5216.0" y2="-3900.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom9" elementType="C" x2="7333.0" y2="-4165.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom10" elementType="C" x2="7503.0" y2="-4973.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom11" elementType="C" x2="4750.0" y2="-2721.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom12" elementType="N" x2="6298.0" y2="-3121.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom13" elementType="N" x2="5880.0" y2="-4388.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom14" elementType="C" x2="5487.0" y2="-1499.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom15" elementType="C" x2="8453.0" y2="-6039.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom16" elementType="C" x2="5474.0" y2="-3118.0"/> <atom id="3-carboxy-3-dimethylammonio-propyl-L-his-atom17" elementType="C" x2="6550.0" y2="-3907.0"/> <atom id="3-carboxy-3-dimethylammonio-…

biopax-level3ChemicalStructure163824
structure data: <atom id="CPD-7024-atom1" elementType="C" x2="837.0" y2="4867.0"/> <atom id="CPD-7024-atom2" elementType="C" x2="-12989.0" y2="-7409.0"/> <atom id="CPD-7024-atom3" elementType="O" x2="6108.0" y2="10944.0"/> <atom id="CPD-7024-atom4" elementType="C" x2="-12927.0" y2="588.0"/> <atom id="CPD-7024-atom5" elementType="O" x2="12927.0" y2="-2202.0" formalCharge="-1"/> <atom id="CPD-7024-atom6" elementType="C" x2="-7595.0" y2="5921.0"/> <atom id="CPD-7024-atom7" elementType="C" x2="4929.0" y2="-2202.0"/> <atom id="CPD-7024-atom8" elementType="C" x2="1891.0" y2="-10014.0"/> <atom id="CPD-7024-atom9" elementType="C" x2="-6913.0" y2="-12989.0"/> <bond id="CPD-7024-bond1" atomRefs="CPD-7024-atom9 CPD-7024-atom8" order="1"/> <bond id="CPD-7024-bond2" atomRefs="CPD-7024-atom8 CPD-7024-atom7" order="2"/> <bond id="CPD-7024-bond3" atomRefs="CPD-7024-atom7 CPD-7024-atom1" order="1"/> <bond id="CPD-7024-bond4" atomRefs="CPD-7024-atom7 CPD-7024-atom5" order="1"/> <bond id="CPD-7024-bond5" atomRefs="CPD-7024-atom6 CPD-7024-atom4" order="2"/> <bond id="CPD-7024-bond6" atomRefs="CPD-7024-atom4 CPD-7024-atom2" order="1"/> <bond id="CPD-7024-bond7" atomRefs="CPD-7024-atom2 CPD-7024-atom9" order="2"/> <bond id="CPD-7024-bond8" atomRefs="CPD-7024-atom1 CPD-7024-atom6" order="1"/> <bond id="CPD-7024-bond9" atomRefs="CPD-7024-atom1 CPD-7024-atom3" order="2"/> <formula concise="H 5 O 2 C 7"/> 121.115 C1(=O)(C=CC=CC=C([O-])1)

CHEBI CHEBI:29036
structure data: InChI%3D1S%2FCu%2Fq%2B2

biopax-level3ChemicalStructure168337
structure data: <atom id="2-AMINO-MUCONATE-atom1" elementType="C" x2="-3751.0" y2="-12974.0"/> <atom id="2-AMINO-MUCONATE-atom2" elementType="C" x2="-10896.0" y2="-8849.0"/> <atom id="2-AMINO-MUCONATE-atom3" elementType="C" x2="-10896.0" y2="-598.0"/> <atom id="2-AMINO-MUCONATE-atom4" elementType="C" x2="-3751.0" y2="3527.0"/> <atom id="2-AMINO-MUCONATE-atom5" elementType="C" x2="3394.0" y2="-598.0"/> <atom id="2-AMINO-MUCONATE-atom6" elementType="C" x2="3394.0" y2="-8849.0"/> <atom id="2-AMINO-MUCONATE-atom7" elementType="N" x2="-3751.0" y2="-21224.0"/> <atom id="2-AMINO-MUCONATE-atom8" elementType="O" x2="11644.0" y2="-8849.0"/> <atom id="2-AMINO-MUCONATE-atom9" elementType="O" x2="9227.0" y2="-14682.0" formalCharge="-1"/> <atom id="2-AMINO-MUCONATE-atom10" elementType="O" x2="11644.0" y2="-598.0"/> <atom id="2-AMINO-MUCONATE-atom11" elementType="O" x2="9227.0" y2="5235.0" formalCharge="-1"/> <bond id="2-AMINO-MUCONATE-bond1" atomRefs="2-AMINO-MUCONATE-atom1 2-AMINO-MUCONATE-atom2" order="2"/> <bond id="2-AMINO-MUCONATE-bond2" atomRefs="2-AMINO-MUCONATE-atom2 2-AMINO-MUCONATE-atom3" order="1"/> <bond id="2-AMINO-MUCONATE-bond3" atomRefs="2-AMINO-MUCONATE-atom3 2-AMINO-MUCONATE-atom4" order="2"/> <bond id="2-AMINO-MUCONATE-bond4" atomRefs="2-AMINO-MUCONATE-atom4 2-AMINO-MUCONATE-atom5" order="1"/> <bond id="2-AMINO-MUCONATE-bond5" atomRefs="2-AMINO-MUCONATE-atom1 2-AMINO-MUCONATE-atom6" order="1"/> <bond id="2-AMINO-MUCONATE-bond6" atomRefs="2-AMINO-MUCONATE-atom1 2-AMINO-MUCONATE-atom7" order="1"/> <bond id="2-AMINO-MUCONATE-bond7" atomRefs="2-AMINO-MUCONATE-atom6 2-AMINO-MUCONATE-atom8" order="2"/> <bond id="2-AMINO-MUCONATE-bond8" atomRefs="2-AMINO-MUCONATE-atom6 2-AMINO-MUCONATE-atom9" order="1"/> <bond id="2-AMINO-MUCONATE-bond9" atomRefs="2-AMINO-MUCONATE-atom5 2-AMINO-MUCONATE-atom10" order="2"/> <bond id="2-AMINO-MUCONATE-bond10" atomRefs="2-AMINO-MUCONATE-atom5 2-AMINO-MUCONATE-atom11" order="1"/> <formula concise="H 5 O 4 N 1 C 6"/> 155.11 C([O-])(=O)C=CC=C(N)C([O-])=O

CHEBI CHEBI:50157
structure data: InChI%3D1S%2FC10H9NO2%2Fc12-4-3-7-6-11-10-2-1-8%2813%295-9%287%2910%2Fh1-2%2C4-6%2C11%2C13H%2C3H2

CHEBI CHEBI:32429
structure data: InChI%3D1S%2FC22H42O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh11-12H%2C2-10%2C13-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fp-1%2Fb12-11-

CHEBI CHEBI:29147
structure data: InChI%3D1S%2FC6H5N3O%2Fc10-6-8-2-1-5-7-3-4-9%285%296%2Fh1-4H%2C%28H%2C8%2C10%29

biopax-level3ChemicalStructure140902
structure data: <atom id="HOMOARGININE-atom1" elementType="C" x2="-10625.0" y2="11250.0"/> <atom id="HOMOARGININE-atom2" elementType="C" x2="-3480.0" y2="-1125.0"/> <atom id="HOMOARGININE-atom3" elementType="C" x2="3664.0" y2="-5250.0"/> <atom id="HOMOARGININE-atom4" elementType="C" x2="3664.0" y2="-13500.0"/> <atom id="HOMOARGININE-atom5" elementType="C" x2="10809.0" y2="-17625.0"/> <atom id="HOMOARGININE-atom6" elementType="C" x2="10809.0" y2="-25875.0"/> <atom id="HOMOARGININE-atom7" elementType="C" x2="17954.0" y2="-30000.0"/> <atom id="HOMOARGININE-atom8" elementType="O" x2="25099.0" y2="-25875.0" formalCharge="-1"/> <atom id="HOMOARGININE-atom9" elementType="N" x2="3664.0" y2="-30000.0" formalCharge="1"/> <atom id="HOMOARGININE-atom10" elementType="N" x2="-3480.0" y2="7125.0"/> <atom id="HOMOARGININE-atom11" elementType="N" x2="-10625.0" y2="19500.0" formalCharge="1"/> <atom id="HOMOARGININE-atom12" elementType="N" x2="-17770.0" y2="7125.0"/> <atom id="HOMOARGININE-atom13" elementType="O" x2="17954.0" y2="-38250.0"/> <bond id="HOMOARGININE-bond1" atomRefs="HOMOARGININE-atom9 HOMOARGININE-atom6" order="1"/> <bond id="HOMOARGININE-bond2" atomRefs="HOMOARGININE-atom7 HOMOARGININE-atom8" order="1"/> <bond id="HOMOARGININE-bond3" atomRefs="HOMOARGININE-atom7 HOMOARGININE-atom13" order="2"/> <bond id="HOMOARGININE-bond4" atomRefs="HOMOARGININE-atom6 HOMOARGININE-atom7" order="1"/> <bond id="HOMOARGININE-bond5" atomRefs="HOMOARGININE-atom5 HOMOARGININE-atom6" order="1"/> <bond id="HOMOARGININE-bond6" atomRefs="HOMOARGININE-atom4 HOMOARGININE-atom5" order="1"/> <bond id="HOMOARGININE-bond7" atomRefs="HOMOARGININE-atom3 HOMOARGININE-atom4" order="1"/> <bond id="HOMOARGININE-bond8" atomRefs="HOMOARGININE-atom2 HOMOARGININE-atom3" order="1"/> <bond id="HOMOARGININE-bond9" atomRefs="HOMOARGININE-atom10 HOMOARGININE-atom2" order="1"/> <bond id="HOMOARGININE-bond10" atomRefs="HOMOARGININE-atom1 HOMOARGININE-atom12" order="1"/> <bond id="HOMOARGININE-bond11" atomRefs="HOMOARGININE-atom1 HOM…

CHEBI CHEBI:47266
structure data: InChI%3D1S%2FBrH%2Fh1H

CHEBI CHEBI:37030
structure data: InChI%3D1S%2FC6H10O3%2Fc1-2-3-5%287%294-6%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:58061
structure data: InChI%3D1S%2FC19H21NO4%2Fc1-20-7-6-19-10-16%2824-3%2914%2821%299-12%2819%2913%2820%298-11-4-5-15%2823-2%2918%2822%2917%2811%2919%2Fh4-5%2C9-10%2C13%2C22H%2C6-8H2%2C1-3H3%2Fp%2B1%2Ft13-%2C19%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure133579
structure data: <atom id="DPG-atom1" elementType="C" x2="-675.0" y2="-22868.0"/> <atom id="DPG-atom2" elementType="P" x2="22772.0" y2="-14956.0"/> <atom id="DPG-atom3" elementType="O" x2="22772.0" y2="-6754.0" formalCharge="-1"/> <atom id="DPG-atom4" elementType="P" x2="-22868.0" y2="-14956.0"/> <atom id="DPG-atom5" elementType="O" x2="15342.0" y2="-14956.0"/> <atom id="DPG-atom6" elementType="O" x2="-22868.0" y2="-6754.0" formalCharge="-1"/> <atom id="DPG-atom7" elementType="O" x2="-16307.0" y2="-14956.0"/> <atom id="DPG-atom8" elementType="O" x2="-675.0" y2="-31070.0"/> <atom id="DPG-atom9" elementType="C" x2="-8009.0" y2="-14956.0"/> <atom id="DPG-atom10" elementType="O" x2="30973.0" y2="-14956.0"/> <atom id="DPG-atom11" elementType="O" x2="-8009.0" y2="-6754.0"/> <atom id="DPG-atom12" elementType="O" x2="-22868.0" y2="-23158.0" formalCharge="-1"/> <atom id="DPG-atom13" elementType="O" x2="22772.0" y2="-23158.0" formalCharge="-1"/> <atom id="DPG-atom14" elementType="O" x2="-31070.0" y2="-14956.0"/> <atom id="DPG-atom15" elementType="C" x2="6754.0" y2="-14956.0"/> <bond id="DPG-bond1" atomRefs="DPG-atom15 DPG-atom5" order="1"/> <bond id="DPG-bond2" atomRefs="DPG-atom9 DPG-atom1" order="1"/> <bond id="DPG-bond3" atomRefs="DPG-atom9 DPG-atom11" order="2"/> <bond id="DPG-bond4" atomRefs="DPG-atom7 DPG-atom9" order="1"/> <bond id="DPG-bond5" atomRefs="DPG-atom5 DPG-atom2" order="1"/> <bond id="DPG-bond6" atomRefs="DPG-atom4 DPG-atom7" order="1"/> <bond id="DPG-bond7" atomRefs="DPG-atom4 DPG-atom6" order="1"/> <bond id="DPG-bond8" atomRefs="DPG-atom4 DPG-atom12" order="1"/> <bond id="DPG-bond9" atomRefs="DPG-atom4 DPG-atom14" order="2"/> <bond id="DPG-bond10" atomRefs="DPG-atom2 DPG-atom3" order="1"/> <bond id="DPG-bond11" atomRefs="DPG-atom2 DPG-atom13" order="1"/> <bond id="DPG-bond12" atomRefs="DPG-atom2 DPG-atom10" order="2"/> <bond id="DPG-bond13" atomRefs="DPG-atom1 DPG-atom15" order="1"/> <bond id="DPG-bond14" atomRefs="DPG-atom1 DPG-atom8" order="1"/> <formula concise="H 4 O 1…

biopax-level3ChemicalStructure144133
structure data: <cml> <molecule id="Keratan-Gal-6S" title="[keratan]-galactose 6'-sulfate" formalCharge="-1"> <atomArray> <atom id="Keratan-Gal-6S-atom1" elementType="S" x2="1380.0" y2="1054.0"/> <atom id="Keratan-Gal-6S-atom2" elementType="O" x2="1694.0" y2="1323.0"/> <atom id="Keratan-Gal-6S-atom3" elementType="O" x2="1693.0" y2="1050.0"/> <atom id="Keratan-Gal-6S-atom4" elementType="O" x2="1836.0" y2="1051.0"/> <atom id="Keratan-Gal-6S-atom5" elementType="O" x2="1550.0" y2="1215.0"/> <atom id="Keratan-Gal-6S-atom6" elementType="O" x2="1464.0" y2="1054.0"/> <atom id="Keratan-Gal-6S-atom7" elementType="O" x2="1380.0" y2="1137.0"/> <atom id="Keratan-Gal-6S-atom8" elementType="O" x2="1380.0" y2="971.0"/> <atom id="Keratan-Gal-6S-atom9" elementType="O" x2="1298.0" y2="1054.0" formalCharge="-1"/> <atom id="Keratan-Gal-6S-atom10" elementType="O" x2="1838.0" y2="1216.0"/> <atom id="Keratan-Gal-6S-atom11" elementType="C" x2="1694.0" y2="1216.0"/> <atom id="Keratan-Gal-6S-atom12" elementType="C" x2="1766.0" y2="1175.0"/> <atom id="Keratan-Gal-6S-atom13" elementType="C" x2="1622.0" y2="1174.0"/> <atom id="Keratan-Gal-6S-atom14" elementType="C" x2="1766.0" y2="1092.0"/> <atom id="Keratan-Gal-6S-atom15" elementType="C" x2="1622.0" y2="1092.0"/> <atom id="Keratan-Gal-6S-atom16" elementType="C" x2="1550.0" y2="1050.0"/> <atom id="Keratan-Gal-6S-atom17" elementType="R2" x2="1623.0" y2="1364.0"/> <atom id="Keratan-Gal-6S-atom18" elementType="R1" x2="1836.0" y2="969.0"/> </atomArray> <bondArray> <bond id="Keratan-Gal-6S-bond1" atomRefs="Keratan-Gal-6S-atom1 Keratan-Gal-6S-atom6" order="1"/> <bond id="Keratan-Gal-6S-bond2" atomRefs="Keratan-Gal-6S-atom1 Keratan-Gal-6S-atom7" order="2"/> <bond id="Keratan-Gal-6S-bond3" atomRefs="Keratan-Gal-6S-atom1 Keratan-Gal-6S-atom8" order="2"/> <bond id="Keratan-Gal-6S-bond4" atomRefs="Keratan-Gal-6S-atom1 Keratan-Gal-6S-atom9" order="1"/> <bond id="Keratan-Gal-6S-bond5" atomRefs="Keratan-Gal-6S-atom11 Keratan-Gal-6S-atom2" order="1"/> <bond id="Keratan-Gal-6S…

biopax-level3ChemicalStructure132460
structure data: <atom id="DIHYDROFOLATE-atom1" elementType="N" x2="61020.0" y2="51876.0"/> <atom id="DIHYDROFOLATE-atom2" elementType="C" x2="68164.0" y2="47751.0"/> <atom id="DIHYDROFOLATE-atom3" elementType="C" x2="68164.0" y2="39501.0"/> <atom id="DIHYDROFOLATE-atom4" elementType="N" x2="75309.0" y2="35376.0"/> <atom id="DIHYDROFOLATE-atom5" elementType="N" x2="75309.0" y2="51876.0"/> <atom id="DIHYDROFOLATE-atom6" elementType="N" x2="53875.0" y2="39501.0"/> <atom id="DIHYDROFOLATE-atom7" elementType="C" x2="82453.0" y2="47751.0"/> <atom id="DIHYDROFOLATE-atom8" elementType="C" x2="82453.0" y2="39501.0"/> <atom id="DIHYDROFOLATE-atom9" elementType="C" x2="89598.0" y2="35376.0"/> <atom id="DIHYDROFOLATE-atom10" elementType="C" x2="103888.0" y2="35374.0"/> <atom id="DIHYDROFOLATE-atom11" elementType="C" x2="118176.0" y2="35374.0"/> <atom id="DIHYDROFOLATE-atom12" elementType="C" x2="111031.0" y2="39499.0"/> <atom id="DIHYDROFOLATE-atom13" elementType="C" x2="103888.0" y2="27124.0"/> <atom id="DIHYDROFOLATE-atom14" elementType="C" x2="111031.0" y2="22999.0"/> <atom id="DIHYDROFOLATE-atom15" elementType="C" x2="118176.0" y2="27124.0"/> <atom id="DIHYDROFOLATE-atom16" elementType="C" x2="125321.0" y2="22999.0"/> <atom id="DIHYDROFOLATE-atom17" elementType="O" x2="125321.0" y2="14750.0"/> <atom id="DIHYDROFOLATE-atom18" elementType="N" x2="132465.0" y2="27124.0"/> <atom id="DIHYDROFOLATE-atom19" elementType="O" x2="139610.0" y2="-1751.0"/> <atom id="DIHYDROFOLATE-atom20" elementType="C" x2="139610.0" y2="22999.0"/> <atom id="DIHYDROFOLATE-atom21" elementType="O" x2="153898.0" y2="22999.0" formalCharge="-1"/> <atom id="DIHYDROFOLATE-atom22" elementType="C" x2="146753.0" y2="27124.0"/> <atom id="DIHYDROFOLATE-atom23" elementType="O" x2="146753.0" y2="35374.0"/> <atom id="DIHYDROFOLATE-atom24" elementType="C" x2="139610.0" y2="14750.0"/> <atom id="DIHYDROFOLATE-atom25" elementType="C" x2="146755.0" y2="10625.0"/> <atom id="DIHYDROFOLATE-atom26" elementType="C" x2="146755.0" y2="2375.0"/>…

CHEBI CHEBI:30316
structure data: InChI%3D1S%2FC8H16O2S2%2Fc9-8%2810%294-2-1-3-7%2812%295-6-11%2Fh7%2C11-12H%2C1-6H2%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:63243
structure data: InChI%3D1S%2FC15H24O%2Fc1-10-4-5-13-11%288-16%296-12-7-14%282%2C3%299-15%2810%2C12%2913%2Fh6%2C10%2C12-13%2C16H%2C4-5%2C7-9H2%2C1-3H3%2Ft10-%2C12-%2C13%2B%2C15-%2Fm1%2Fs1

CHEBI CHEBI:38321
structure data: InChI%3D1S%2FC14H13NO7S%2Fc1-23%2821%2C22%298-5-6-9%2810%287-8%2915%2819%2920%2914%2818%2913-11%2816%293-2-4-12%2813%2917%2Fh5-7%2C13H%2C2-4H2%2C1H3

biopax-level3ChemicalStructure157176
structure data: <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1" elementType="C" x2="3701.0" y2="-5419.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2" elementType="C" x2="10867.0" y2="-9506.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" elementType="C" x2="-10631.0" y2="-5419.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4" elementType="C" x2="17975.0" y2="-5419.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom5" elementType="O" x2="17975.0" y2="3109.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom6" elementType="O" x2="-10631.0" y2="3109.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom7" elementType="N" x2="-3464.0" y2="-18034.0" formalCharge="1"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8" elementType="C" x2="-3464.0" y2="-9506.0"/> <atom id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom9" elementType="O" x2="-18034.0" y2="-9684.0" formalCharge="-1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond1" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom9 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond2" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond3" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom7 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom8" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond4" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom6 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom3" order="2"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond5" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom5 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4" order="2"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond6" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom4 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond7" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom2 L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1" order="1"/> <bond id="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-bond8" atomRefs="L-GLUTAMATE_GAMMA-SEMIALDEHYDE-atom1 L-GLUTAMATE_GAMMA-SEMIALDE…

biopax-level3ChemicalStructure143999
structure data: <atom id="DIETHYLTHIOPHOSPHATE-atom1" elementType="O" x2="4362.0" y2="-1535.0" formalCharge="-1"/> <atom id="DIETHYLTHIOPHOSPHATE-atom2" elementType="P" x2="4776.0" y2="-2248.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom3" elementType="O" x2="5357.0" y2="-1658.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom4" elementType="O" x2="5357.0" y2="-2829.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom5" elementType="S" x2="4182.0" y2="-2822.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom6" elementType="C" x2="6156.0" y2="-1866.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom7" elementType="C" x2="6735.0" y2="-1278.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom8" elementType="C" x2="5144.0" y2="-3626.0"/> <atom id="DIETHYLTHIOPHOSPHATE-atom9" elementType="C" x2="5937.0" y2="-3838.0"/> <bond id="DIETHYLTHIOPHOSPHATE-bond1" atomRefs="DIETHYLTHIOPHOSPHATE-atom8 DIETHYLTHIOPHOSPHATE-atom9" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond2" atomRefs="DIETHYLTHIOPHOSPHATE-atom4 DIETHYLTHIOPHOSPHATE-atom8" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond3" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom4" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond4" atomRefs="DIETHYLTHIOPHOSPHATE-atom6 DIETHYLTHIOPHOSPHATE-atom7" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond5" atomRefs="DIETHYLTHIOPHOSPHATE-atom1 DIETHYLTHIOPHOSPHATE-atom2" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond6" atomRefs="DIETHYLTHIOPHOSPHATE-atom3 DIETHYLTHIOPHOSPHATE-atom6" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond7" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom3" order="1"/> <bond id="DIETHYLTHIOPHOSPHATE-bond8" atomRefs="DIETHYLTHIOPHOSPHATE-atom2 DIETHYLTHIOPHOSPHATE-atom5" order="2"/> <formula concise="H 10 C 4 S 1 P 1 O 3"/> 169.155 CCOP(=S)([O-])OCC

biopax-level3ChemicalStructure160000
structure data: <atom id="Glycogens-atom1" elementType="C" x2="-66900.0" y2="-198990.0"/> <atom id="Glycogens-atom2" elementType="C" x2="-37120.0" y2="-117410.0"/> <atom id="Glycogens-atom3" elementType="O" x2="-142880.0" y2="-236980.0"/> <atom id="Glycogens-atom4" elementType="C" x2="-12090.0" y2="-258560.0"/> <atom id="Glycogens-atom5" elementType="O" x2="46190.0" y2="-104030.0"/> <atom id="Glycogens-atom6" elementType="C" x2="-91080.0" y2="-53960.0"/> <atom id="Glycogens-atom7" elementType="C" x2="-220570.0" y2="-210650.0"/> <atom id="Glycogens-atom8" elementType="C" x2="66480.0" y2="-244750.0"/> <atom id="Glycogens-atom9" elementType="O" x2="-37990.0" y2="-337120.0"/> <atom id="Glycogens-atom10" elementType="C" x2="96690.0" y2="-170070.0"/> <atom id="Glycogens-atom11" elementType="O" x2="-50070.0" y2="16840.0"/> <atom id="Glycogens-atom12" elementType="O" x2="-250790.0" y2="-134250.0"/> <atom id="Glycogens-atom13" elementType="C" x2="-273240.0" y2="-276690.0"/> <atom id="Glycogens-atom14" elementType="O" x2="118270.0" y2="-308630.0"/> <atom id="Glycogens-atom15" elementType="O" x2="180430.0" y2="-180860.0"/> <atom id="Glycogens-atom16" elementType="C" x2="-103600.0" y2="79420.0"/> <atom id="Glycogens-atom17" elementType="C" x2="-333670.0" y2="-123890.0"/> <atom id="Glycogens-atom18" elementType="C" x2="-353100.0" y2="-265900.0"/> <atom id="Glycogens-atom19" elementType="O" x2="-242590.0" y2="-353530.0"/> <atom id="Glycogens-atom20" elementType="C" x2="244750.0" y2="-129930.0"/> <atom id="Glycogens-atom21" elementType="O" x2="-75970.0" y2="156690.0"/> <atom id="Glycogens-atom22" elementType="C" x2="-184320.0" y2="64320.0"/> <atom id="Glycogens-atom23" elementType="C" x2="-384600.0" y2="-190360.0"/> <atom id="Glycogens-atom24" elementType="C" x2="-369930.0" y2="-48780.0"/> <atom id="Glycogens-atom25" elementType="O" x2="-403600.0" y2="-331510.0"/> <atom id="Glycogens-atom26" elementType="C" x2="249070.0" y2="-47480.0"/> <atom id="Glycogens-atom27" elementType="C" x2="315540.0" y2…

CHEBI CHEBI:18090
structure data: InChI%3D1S%2FC3H7NO%2Fc4-2-1-3-5%2Fh3H%2C1-2%2C4H2

CHEBI CHEBI:506227
structure data: InChI%3D1S%2FC8H15NO6%2Fc1-3%2811%299-5-7%2813%296%2812%294%282-10%2915-8%285%2914%2Fh4-8%2C10%2C12-14H%2C2H2%2C1H3%2C%28H%2C9%2C11%29%2Ft4-%2C5-%2C6-%2C7-%2C8%3F%2Fm1%2Fs1

CHEBI CHEBI:59948
structure data: InChI%3D1S%2FC14H14O4%2Fc1-14%282%2C16%2911-7-9-10%2817-11%295-3-8-4-6-12%2815%2918-13%288%299%2Fh3-6%2C11%2C16H%2C7H2%2C1-2H3

biopax-level3ChemicalStructure174467
structure data: <atom id="CPD-12023-atom1" elementType="C" x2="-4420.0" y2="10312.0"/> <atom id="CPD-12023-atom2" elementType="C" x2="-11564.0" y2="14437.0"/> <atom id="CPD-12023-atom3" elementType="C" x2="-11564.0" y2="22687.0"/> <atom id="CPD-12023-atom4" elementType="C" x2="-4420.0" y2="26812.0"/> <atom id="CPD-12023-atom5" elementType="C" x2="2725.0" y2="22687.0"/> <atom id="CPD-12023-atom6" elementType="C" x2="2725.0" y2="14437.0"/> <atom id="CPD-12023-atom7" elementType="O" x2="9870.0" y2="26812.0"/> <atom id="CPD-12023-atom8" elementType="C" x2="9971.0" y2="35061.0"/> <atom id="CPD-12023-atom9" elementType="N" x2="-18708.0" y2="10312.0"/> <atom id="CPD-12023-atom10" elementType="C" x2="-4420.0" y2="2062.0"/> <atom id="CPD-12023-atom11" elementType="C" x2="2725.0" y2="-2063.0"/> <atom id="CPD-12023-atom12" elementType="C" x2="2725.0" y2="-10313.0"/> <atom id="CPD-12023-atom13" elementType="N" x2="9870.0" y2="-14438.0"/> <atom id="CPD-12023-atom14" elementType="C" x2="9870.0" y2="-22687.0"/> <atom id="CPD-12023-atom15" elementType="O" x2="-11564.0" y2="-2063.0"/> <atom id="CPD-12023-atom16" elementType="C" x2="17013.0" y2="-26812.0"/> <atom id="CPD-12023-atom17" elementType="O" x2="2725.0" y2="-26812.0"/> <bond id="CPD-12023-bond1" atomRefs="CPD-12023-atom1 CPD-12023-atom2" order="2"/> <bond id="CPD-12023-bond2" atomRefs="CPD-12023-atom2 CPD-12023-atom3" order="1"/> <bond id="CPD-12023-bond3" atomRefs="CPD-12023-atom3 CPD-12023-atom4" order="2"/> <bond id="CPD-12023-bond4" atomRefs="CPD-12023-atom4 CPD-12023-atom5" order="1"/> <bond id="CPD-12023-bond5" atomRefs="CPD-12023-atom5 CPD-12023-atom6" order="2"/> <bond id="CPD-12023-bond6" atomRefs="CPD-12023-atom1 CPD-12023-atom6" order="1"/> <bond id="CPD-12023-bond7" atomRefs="CPD-12023-atom5 CPD-12023-atom7" order="1"/> <bond id="CPD-12023-bond8" atomRefs="CPD-12023-atom7 CPD-12023-atom8" order="1"/> <bond id="CPD-12023-bond9" atomRefs="CPD-12023-atom2 CPD-12023-atom9" order="1"/> <bond id="CPD-12023-bond10" atomRefs="CPD-12023-…

biopax-level3ChemicalStructure131856
structure data: <cml> <molecule id="FORMYL-THF-GLU-N" title="an N10-formyl-tetrahydrofolate" formalCharge="0"> <atomArray> <atom id="FORMYL-THF-GLU-N-atom1" elementType="H" x2="0.0" y2="-17214.0"/> <atom id="FORMYL-THF-GLU-N-atom2" elementType="N" x2="626.0" y2="0.0"/> <atom id="FORMYL-THF-GLU-N-atom3" elementType="O" x2="41476.0" y2="-47782.0"/> <atom id="FORMYL-THF-GLU-N-atom4" elementType="O" x2="91323.0" y2="-58694.0"/> <atom id="FORMYL-THF-GLU-N-atom5" elementType="O" x2="89852.0" y2="-16074.0"/> <atom id="FORMYL-THF-GLU-N-atom6" elementType="O" x2="74217.0" y2="-17550.0"/> <atom id="FORMYL-THF-GLU-N-atom7" elementType="O" x2="14341.0" y2="-25659.0"/> <atom id="FORMYL-THF-GLU-N-atom8" elementType="C" x2="37497.0" y2="-40112.0"/> <atom id="FORMYL-THF-GLU-N-atom9" elementType="C" x2="62717.0" y2="-38197.0"/> <atom id="FORMYL-THF-GLU-N-atom10" elementType="C" x2="62717.0" y2="-23888.0"/> <atom id="FORMYL-THF-GLU-N-atom11" elementType="C" x2="54159.0" y2="-38197.0"/> <atom id="FORMYL-THF-GLU-N-atom12" elementType="C" x2="54603.0" y2="-23888.0"/> <atom id="FORMYL-THF-GLU-N-atom13" elementType="C" x2="90884.0" y2="-44241.0"/> <atom id="FORMYL-THF-GLU-N-atom14" elementType="C" x2="94570.0" y2="-37459.0"/> <atom id="FORMYL-THF-GLU-N-atom15" elementType="C" x2="36020.0" y2="-5161.0"/> <atom id="FORMYL-THF-GLU-N-atom16" elementType="C" x2="40888.0" y2="-21530.0"/> <atom id="FORMYL-THF-GLU-N-atom17" elementType="N" x2="14341.0" y2="-883.0"/> <atom id="FORMYL-THF-GLU-N-atom18" elementType="N" x2="29088.0" y2="-883.0"/> <atom id="FORMYL-THF-GLU-N-atom19" elementType="N" x2="82625.0" y2="-30821.0"/> <atom id="FORMYL-THF-GLU-N-atom20" elementType="N" x2="29088.0" y2="-17250.0"/> <atom id="FORMYL-THF-GLU-N-atom21" elementType="C" x2="95308.0" y2="-51173.0"/> <atom id="FORMYL-THF-GLU-N-atom22" elementType="C" x2="94275.0" y2="-23300.0"/> <atom id="FORMYL-THF-GLU-N-atom23" elementType="C" x2="74217.0" y2="-26103.0"/> <atom id="FORMYL-THF-GLU-N-atom24" elementType="C" x2="7409.0" y2="-5161.0"/> …

CHEBI CHEBI:17272
structure data: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

CHEBI CHEBI:60426
structure data: InChI%3D1S%2FC42H79O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41%2845%2949-37-40%2838-51-53%2847%2C48%2950-36-39%2844%2935-43%2952-42%2846%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh17-20%2C39-40%2C43-44H%2C3-16%2C21-38H2%2C1-2H3%2C%28H%2C47%2C48%29%2Fb19-17-%2C20-18-

CHEBI CHEBI:61724
structure data: InChI%3D1S%2FC7H12O%2Fc1-2-3-4-5-6-7-8%2Fh5-7H%2C2-4H2%2C1H3

CHEBI CHEBI:17814
structure data: InChI%3D1S%2FC13H18O7%2Fc14-5-7-3-1-2-4-8%287%2919-13-12%2818%2911%2817%2910%2816%299%286-15%2920-13%2Fh1-4%2C9-18H%2C5-6H2%2Ft9-%2C10-%2C11%2B%2C12-%2C13-%2Fm1%2Fs1

CHEBI CHEBI:473990
structure data: InChI%3D1S%2FC12H15N5O3%2Fc1-5-6%283-18%298%2819%292-7%285%2917-4-14-9-10%2817%2915-12%2813%2916-11%289%2920%2Fh4%2C6-8%2C18-19H%2C1-3H2%2C%28H3%2C13%2C15%2C16%2C20%29%2Ft6-%2C7-%2C8-%2Fm0%2Fs1

CHEBI CHEBI:50146
structure data: InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3%2Ft15-%2C16-%2C17%2B%2Fm0%2Fs1

CHEBI CHEBI:36793
structure data: InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3%2Ft9-%2Fm0%2Fs1

CHEBI CHEBI:53155
structure data: InChI%3D1S%2FC10H12O2%2Fc1-9%286-7-11%294-3-5-10%282%298-12%2Fh3-8H%2C1-2H3%2Fb4-3%2B%2C9-6%2B%2C10-5%2B

CHEBI CHEBI:49293
structure data: InChI%3D1S%2FC6H10O3%2Fc7-5-3-1-2-4-6%288%299%2Fh1-2%2C7H%2C3-5H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:36464
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%2810%2C2-3-7%294-5%288%299%2Fh7%2C10H%2C2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1%2Ft6-%2Fm1%2Fs1

CHEBI CHEBI:18020
structure data: InChI%3D1S%2FC7H16NO%2Fc1-8%282%2C3%296-4-5-7-9%2Fh7H%2C4-6H2%2C1-3H3%2Fq%2B1

CHEBI CHEBI:17468
structure data: InChI%3D1S%2FC9H7BrO3S%2Fc10-6-1-3-7%284-2-6%2914-5-8%2811%299%2812%2913%2Fh1-4H%2C5H2%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:7610
structure data: InChI%3D1S%2FC9H14O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh3-4%2C7-9H%2C2%2C5-6H2%2C1H3%2Fb4-3-%2C8-7%2B

biopax-level3ChemicalStructure168212
structure data: <atom id="4-AMINO-BUTYRALDEHYDE-atom1" elementType="C" x2="1068.0" y2="-1788.0"/> <atom id="4-AMINO-BUTYRALDEHYDE-atom2" elementType="C" x2="354.0" y2="-1375.0"/> <atom id="4-AMINO-BUTYRALDEHYDE-atom3" elementType="O" x2="1782.0" y2="-1375.0"/> <atom id="4-AMINO-BUTYRALDEHYDE-atom4" elementType="C" x2="-1074.0" y2="-1375.0"/> <atom id="4-AMINO-BUTYRALDEHYDE-atom5" elementType="N" x2="-1788.0" y2="-1788.0" formalCharge="1"/> <atom id="4-AMINO-BUTYRALDEHYDE-atom6" elementType="C" x2="-366.0" y2="-1788.0"/> <bond id="4-AMINO-BUTYRALDEHYDE-bond1" atomRefs="4-AMINO-BUTYRALDEHYDE-atom6 4-AMINO-BUTYRALDEHYDE-atom2" order="1"/> <bond id="4-AMINO-BUTYRALDEHYDE-bond2" atomRefs="4-AMINO-BUTYRALDEHYDE-atom5 4-AMINO-BUTYRALDEHYDE-atom4" order="1"/> <bond id="4-AMINO-BUTYRALDEHYDE-bond3" atomRefs="4-AMINO-BUTYRALDEHYDE-atom4 4-AMINO-BUTYRALDEHYDE-atom6" order="1"/> <bond id="4-AMINO-BUTYRALDEHYDE-bond4" atomRefs="4-AMINO-BUTYRALDEHYDE-atom3 4-AMINO-BUTYRALDEHYDE-atom1" order="2"/> <bond id="4-AMINO-BUTYRALDEHYDE-bond5" atomRefs="4-AMINO-BUTYRALDEHYDE-atom2 4-AMINO-BUTYRALDEHYDE-atom1" order="1"/> <formula concise="H 10 N 1 O 1 C 4"/> 88.129 C(CCC[N+])=O

CHEBI CHEBI:62735
structure data: InChI%3D1S%2FC30H52O2%2Fc1-25%282%2921-12-16-30%288%2922%2828%2821%2C6%2915-13-23%2825%2931%2910-9-20-24-19%2826%283%2C4%2932%2911-14-27%2824%2C5%2917-18-29%2820%2C30%297%2Fh19-24%2C31-32H%2C9-18H2%2C1-8H3%2Ft19-%2C20-%2C21%2B%2C22-%2C23%2B%2C24-%2C27-%2C28%2B%2C29-%2C30-%2Fm1%2Fs1

biopax-level3ChemicalStructure133945
structure data: <cml> <molecule id="3-Oxo-Delta-4-Steroids" title="a 3-oxo-delta4-steroid" formalCharge="0" dictRef="dict3-Oxo-Delta-4-Steroids"> <atomArray> <atom id="3-Oxo-Delta-4-Steroids-atom1" elementType="C" x2="3637.0" y2="-3500.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom2" elementType="C" x2="7275.0" y2="-5600.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom3" elementType="O" x2="0.0" y2="0.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom4" elementType="R" x2="9039.0" y2="-5964.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom5" elementType="C" x2="2425.0" y2="0.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom6" elementType="C" x2="4850.0" y2="0.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom7" elementType="C" x2="1212.0" y2="-2100.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom8" elementType="C" x2="6062.0" y2="-700.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom9" elementType="C" x2="9429.0" y2="-3500.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom10" elementType="C" x2="8606.0" y2="-2367.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom11" elementType="C" x2="4850.0" y2="-4200.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom12" elementType="C" x2="2425.0" y2="-2800.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom13" elementType="C" x2="6062.0" y2="-4900.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom14" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom15" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom16" elementType="C" x2="8606.0" y2="-4633.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom17" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom18" elementType="C" x2="4850.0" y2="-2800.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom19" elementType="C" x2="7275.0" y2="-2800.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom20" elementType="C" x2="3637.0" y2="-2100.0"/> <atom id="3-Oxo-Delta-4-Steroids-atom21" elementType="C" x2="7275.0" y2="-4200.0"/> </atomArray> <bondArray> <bond id="3-Oxo-Delta-4-Steroids-bond1" atomRefs="3-Oxo-Delta-4-Steroids-atom19 3-Oxo-Delta-4-St…

CHEBI CHEBI:27827
structure data: InChI%3D1S%2FC10H14NO6P%2Fc1-3-15-18%2814%2C16-4-2%2917-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3

CHEBI CHEBI:8428
structure data: InChI%3D1S%2FC13H21N3O%2Fc1-3-16%284-2%2910-9-15-13%2817%2911-5-7-12%2814%298-6-11%2Fh5-8H%2C3-4%2C9-10%2C14H2%2C1-2H3%2C%28H%2C15%2C17%29

CHEBI CHEBI:28940
structure data: InChI%3D1S%2FC27H44O%2Fc1-19%282%298-6-9-21%284%2925-15-16-26-22%2810-7-17-27%2825%2C26%295%2912-13-23-18-24%2828%2914-11-20%2823%293%2Fh12-13%2C19%2C21%2C24-26%2C28H%2C3%2C6-11%2C14-18H2%2C1-2%2C4-5H3%2Fb22-12%2B%2C23-13-%2Ft21-%2C24%2B%2C25-%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:43711
structure data: InChI%3D1S%2FC8H17NOS2%2Fc9-8%2810%294-2-1-3-7%2812%295-6-11%2Fh7%2C11-12H%2C1-6H2%2C%28H2%2C9%2C10%29%2Ft7-%2Fm1%2Fs1

CHEBI CHEBI:57990
structure data: InChI%3D1S%2FC6H10O6%2Fc7-2-5%2810%293%288%291-4%289%296%2811%2912%2Fh3%2C5%2C7-8%2C10H%2C1-2H2%2C%28H%2C11%2C12%29%2Fp-1%2Ft3-%2C5%2B%2Fm0%2Fs1

CHEBI CHEBI:38300
structure data: InChI%3D1S%2FC18H32O3%2Fc1-2-3-10-13-16-17%2821-16%2914-11-8-6-4-5-7-9-12-15-18%2819%2920%2Fh8%2C11%2C16-17H%2C2-7%2C9-10%2C12-15H2%2C1H3%2C%28H%2C19%2C20%29%2Fb11-8-%2Ft16-%2C17%2B%2Fm0%2Fs1

CHEBI CHEBI:52985
structure data: InChI%3D1S%2FC26H50O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26%2827%2928%2Fh24-25H%2C2-23H2%2C1H3%2C%28H%2C27%2C28%29

CHEBI CHEBI:63872
structure data: InChI%3D1S%2FC18H15FN4O%2Fc19-16-7-3-13%284-8-16%299-17%2824%2918%2823-12-21-11-22-23%2915-5-1-14%2810-20%292-6-15%2Fh1-8%2C11-12%2C17-18%2C24H%2C9H2%2Ft17-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:9592
structure data: InChI%3D1S%2FC5H8O2%2Fc1-3-4%282%295%286%297%2Fh3H%2C1-2H3%2C%28H%2C6%2C7%29%2Fb4-3%2B

biopax-level3ChemicalStructure142682
structure data: <cml> <molecule id="GLYCOSYL-N-ACYLSPHINGOSINE" title="glycosyl-N-acylsphingosine" formalCharge="0" dictRef="dictGLYCOSYL-N-ACYLSPHINGOSINE"> <atomArray> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom1" elementType="C" x2="32711.0" y2="-5353.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom2" elementType="O" x2="7372.0" y2="-772.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom3" elementType="O" x2="0.0" y2="-3500.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom4" elementType="O" x2="9712.0" y2="-6456.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom5" elementType="O" x2="3637.0" y2="0.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom6" elementType="O" x2="1212.0" y2="-1400.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom7" elementType="O" x2="6062.0" y2="-1400.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom8" elementType="R" x2="6100.0" y2="-2837.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom9" elementType="C" x2="12088.0" y2="-5161.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom10" elementType="C" x2="10907.0" y2="-4410.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom11" elementType="C" x2="31469.0" y2="-6000.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom12" elementType="C" x2="13330.0" y2="-4514.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom13" elementType="C" x2="1212.0" y2="-4200.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom14" elementType="C" x2="30288.0" y2="-5248.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom15" elementType="C" x2="14511.0" y2="-5266.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom16" elementType="C" x2="29047.0" y2="-5895.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom17" elementType="C" x2="15753.0" y2="-4619.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom18" elementType="C" x2="27866.0" y2="-5144.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom19" elementType="C" x2="16934.0" y2="-5371.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom20" elementType="C" x2="26624.0" y2="-5790.0"/> <atom id="GLYCOSYL-N-ACYLSPHINGOSINE-atom21" elementType="C" x2="18175.0" y2="-4724.0"/> <a…

CHEBI CHEBI:15963
structure data: InChI%3D1S%2FC5H12O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3-10H%2C1-2H2%2Ft3-%2C4%2B%2C5-

CHEBI CHEBI:59905
structure data: InChI%3D1S%2FC8H11NO2%2Fc9-4-3-6-1-2-7%2810%298%2811%295-6%2Fh1-2%2C5%2C10-11H%2C3-4%2C9H2%2Fp%2B1

biopax-level3ChemicalStructure174339
structure data: <atom id="Cis-Prenyl-tRNAs-atom1" elementType="C" x2="1628.0" y2="1373.0"/> <atom id="Cis-Prenyl-tRNAs-atom2" elementType="C" x2="1712.0" y2="1373.0"/> <atom id="Cis-Prenyl-tRNAs-atom3" elementType="C" x2="1737.0" y2="1293.0"/> <atom id="Cis-Prenyl-tRNAs-atom4" elementType="C" x2="1671.0" y2="1245.0"/> <atom id="Cis-Prenyl-tRNAs-atom5" elementType="O" x2="1605.0" y2="1293.0"/> <atom id="Cis-Prenyl-tRNAs-atom6" elementType="O" x2="1756.0" y2="1422.0"/> <atom id="Cis-Prenyl-tRNAs-atom7" elementType="C" x2="1558.0" y2="1416.0"/> <atom id="Cis-Prenyl-tRNAs-atom8" elementType="O" x2="1477.0" y2="1416.0"/> <atom id="Cis-Prenyl-tRNAs-atom9" elementType="P" x2="1394.0" y2="1416.0"/> <atom id="Cis-Prenyl-tRNAs-atom10" elementType="O" x2="1394.0" y2="1497.0" formalCharge="-1"/> <atom id="Cis-Prenyl-tRNAs-atom11" elementType="O" x2="1394.0" y2="1331.0"/> <atom id="Cis-Prenyl-tRNAs-atom12" elementType="O" x2="1794.0" y2="1237.0"/> <atom id="Cis-Prenyl-tRNAs-atom13" elementType="P" x2="1839.0" y2="1422.0"/> <atom id="Cis-Prenyl-tRNAs-atom14" elementType="O" x2="1921.0" y2="1422.0"/> <atom id="Cis-Prenyl-tRNAs-atom15" elementType="O" x2="1839.0" y2="1339.0"/> <atom id="Cis-Prenyl-tRNAs-atom16" elementType="O" x2="1839.0" y2="1505.0" formalCharge="-1"/> <atom id="Cis-Prenyl-tRNAs-atom17" elementType="O" x2="1310.0" y2="1416.0"/> <atom id="Cis-Prenyl-tRNAs-atom18" elementType="All-tRNAs" x2="1133.0" y2="1411.0"/> <atom id="Cis-Prenyl-tRNAs-atom19" elementType="All-tRNAs" x2="2104.0" y2="1422.0"/> <atom id="Cis-Prenyl-tRNAs-atom20" elementType="C" x2="1485.0" y2="1006.0"/> <atom id="Cis-Prenyl-tRNAs-atom21" elementType="N" x2="1414.0" y2="1046.0"/> <atom id="Cis-Prenyl-tRNAs-atom22" elementType="C" x2="1414.0" y2="1129.0"/> <atom id="Cis-Prenyl-tRNAs-atom23" elementType="N" x2="1485.0" y2="1170.0"/> <atom id="Cis-Prenyl-tRNAs-atom24" elementType="C" x2="1556.0" y2="1129.0"/> <atom id="Cis-Prenyl-tRNAs-atom25" elementType="C" x2="1556.0" y2="1046.0"/> <atom id="Cis-Prenyl-tRNAs-atom2…

CHEBI CHEBI:16080
structure data: InChI%3D1S%2FC4H9NO3%2Fc5-2-3%286%291-4%287%298%2Fh3%2C6H%2C1-2%2C5H2%2C%28H%2C7%2C8%29

CHEBI CHEBI:16577
structure data: InChI%3D1S%2FC27H46O4%2Fc1-16%286-5-7-17%282%2925%2830%2931%2920-8-9-21-24-22%2811-13-27%2820%2C21%294%2926%283%2912-10-19%2828%2914-18%2826%2915-23%2824%2929%2Fh16-24%2C28-29H%2C5-15H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft16-%2C17%3F%2C18%2B%2C19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:29101
structure data: InChI%3D1S%2FNa%2Fq%2B1

biopax-level3ChemicalStructure136360
structure data: <cml> <molecule id="PEPTIDAMIDE-CPD" title="peptidyl amide" formalCharge="0" dictRef="dictPEPTIDAMIDE-CPD"> <atomArray> <atom id="PEPTIDAMIDE-CPD-atom1" elementType="N" x2="-772.0" y2="6576.0"/> <atom id="PEPTIDAMIDE-CPD-atom2" elementType="C" x2="-2902.0" y2="7495.0"/> <atom id="PEPTIDAMIDE-CPD-atom3" elementType="N" x2="5866.0" y2="7495.0"/> <atom id="PEPTIDAMIDE-CPD-atom4" elementType="C" x2="8372.0" y2="6576.0"/> <atom id="PEPTIDAMIDE-CPD-atom5" elementType="R" x2="8372.0" y2="4530.0"/> <atom id="PEPTIDAMIDE-CPD-atom6" elementType="H" x2="-772.0" y2="3820.0"/> <atom id="PEPTIDAMIDE-CPD-atom7" elementType="N" x2="-7996.0" y2="7620.0"/> <atom id="PEPTIDAMIDE-CPD-atom8" elementType="H" x2="-7996.0" y2="10000.0"/> <atom id="PEPTIDAMIDE-CPD-atom9" elementType="R" x2="1357.0" y2="9916.0"/> <atom id="PEPTIDAMIDE-CPD-atom10" elementType="O" x2="3486.0" y2="3820.0"/> <atom id="PEPTIDAMIDE-CPD-atom11" elementType="C" x2="-4948.0" y2="6576.0"/> <atom id="PEPTIDAMIDE-CPD-atom12" elementType="R" x2="-4948.0" y2="4322.0"/> <atom id="PEPTIDAMIDE-CPD-atom13" elementType="C" x2="1357.0" y2="7495.0"/> <atom id="PEPTIDAMIDE-CPD-atom14" elementType="H" x2="-10000.0" y2="6576.0"/> <atom id="PEPTIDAMIDE-CPD-atom15" elementType="O" x2="-2902.0" y2="9916.0"/> <atom id="PEPTIDAMIDE-CPD-atom16" elementType="C" x2="3486.0" y2="6576.0"/> <atom id="PEPTIDAMIDE-CPD-atom17" elementType="C" x2="9958.0" y2="7495.0"/> <atom id="PEPTIDAMIDE-CPD-atom18" elementType="O" x2="9958.0" y2="9582.0"/> <atom id="PEPTIDAMIDE-CPD-atom19" elementType="H" x2="5866.0" y2="9958.0"/> </atomArray> <bondArray> <bond id="PEPTIDAMIDE-CPD-bond1" atomRefs="PEPTIDAMIDE-CPD-atom17 PEPTIDAMIDE-CPD-atom18" order="2"/> <bond id="PEPTIDAMIDE-CPD-bond2" atomRefs="PEPTIDAMIDE-CPD-atom16 PEPTIDAMIDE-CPD-atom10" order="2"/> <bond id="PEPTIDAMIDE-CPD-bond3" atomRefs="PEPTIDAMIDE-CPD-atom16 PEPTIDAMIDE-CPD-atom3" order="1"/> <bond id="PEPTIDAMIDE-CPD-bond4" atomRefs="PEPTIDAMIDE-CPD-atom13 PEPTIDAMIDE-CPD-atom16" order="1"/> <bon…

CHEBI CHEBI:29073
structure data: InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1

CHEBI CHEBI:28857
structure data: InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-

CHEBI CHEBI:17616
structure data: InChI%3D1S%2FC36H60O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35%2837%2938-30-28-32%283%2923-20-22-31%282%2926-27-34-33%284%2924-21-29-36%2834%2C5%296%2Fh20%2C22-23%2C26-28H%2C7-19%2C21%2C24-25%2C29-30H2%2C1-6H3%2Fb23-20%2B%2C27-26%2B%2C31-22%2B%2C32-28%2B

CHEBI CHEBI:18099
structure data: InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2

CHEBI CHEBI:50260
structure data: InChI%3D1S%2FC6H10O3S%2Fc1-10-4-2-3-5%287%296%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure167428
structure data: <atom id="T2-C4-DECADIENYL-COA-atom1" elementType="C" x2="0.0" y2="-5936.0"/> <atom id="T2-C4-DECADIENYL-COA-atom2" elementType="C" x2="2841.0" y2="-2093.0"/> <atom id="T2-C4-DECADIENYL-COA-atom3" elementType="C" x2="2841.0" y2="-3781.0"/> <atom id="T2-C4-DECADIENYL-COA-atom4" elementType="N" x2="8500.0" y2="0.0"/> <atom id="T2-C4-DECADIENYL-COA-atom5" elementType="O" x2="6121.0" y2="-6545.0"/> <atom id="T2-C4-DECADIENYL-COA-atom6" elementType="O" x2="2301.0" y2="-4538.0"/> <atom id="T2-C4-DECADIENYL-COA-atom7" elementType="O" x2="1585.0" y2="-2093.0"/> <atom id="T2-C4-DECADIENYL-COA-atom8" elementType="O" x2="7798.0" y2="-5821.0"/> <atom id="T2-C4-DECADIENYL-COA-atom9" elementType="O" x2="5164.0" y2="-1971.0"/> <atom id="T2-C4-DECADIENYL-COA-atom10" elementType="O" x2="6717.0" y2="-1971.0"/> <atom id="T2-C4-DECADIENYL-COA-atom11" elementType="O" x2="2234.0" y2="-4160.0"/> <atom id="T2-C4-DECADIENYL-COA-atom12" elementType="O" x2="9580.0" y2="-4821.0"/> <atom id="T2-C4-DECADIENYL-COA-atom13" elementType="O" x2="9486.0" y2="-5821.0" formalCharge="-1"/> <atom id="T2-C4-DECADIENYL-COA-atom14" elementType="O" x2="8635.0" y2="-6671.0" formalCharge="-1"/> <atom id="T2-C4-DECADIENYL-COA-atom15" elementType="O" x2="5164.0" y2="-3660.0" formalCharge="-1"/> <atom id="T2-C4-DECADIENYL-COA-atom16" elementType="O" x2="6717.0" y2="-3660.0" formalCharge="-1"/> <atom id="T2-C4-DECADIENYL-COA-atom17" elementType="C" x2="3902.0" y2="-7713.0"/> <atom id="T2-C4-DECADIENYL-COA-atom18" elementType="C" x2="4243.0" y2="-6962.0"/> <atom id="T2-C4-DECADIENYL-COA-atom19" elementType="C" x2="3081.0" y2="-7793.0"/> <atom id="T2-C4-DECADIENYL-COA-atom20" elementType="C" x2="5065.0" y2="-6883.0"/> <atom id="T2-C4-DECADIENYL-COA-atom21" elementType="C" x2="7852.0" y2="-2012.0"/> <atom id="T2-C4-DECADIENYL-COA-atom22" elementType="C" x2="10390.0" y2="-1607.0"/> <atom id="T2-C4-DECADIENYL-COA-atom23" elementType="C" x2="479.0" y2="-6607.0"/> <atom id="T2-C4-DECADIENYL-COA-atom24" elementType="C" x2=…

CHEBI CHEBI:62612
structure data: InChI%3D1S%2FC5H7NO3%2Fc7-3-1-4%285%288%299%296-2-3%2Fh2-4%2C7H%2C1H2%2C%28H%2C8%2C9%29%2Fp-1%2Ft3-%2C4%2B%2Fm1%2Fs1

CHEBI CHEBI:33163
structure data: InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-7-8-9-10%2811%2912%2Fh2H%2C1%2C3-9H2%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:45919
structure data: InChI%3D1S%2FC13H26O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2814%2915%2Fh2-12H2%2C1H3%2C%28H%2C14%2C15%29

biopax-level3ChemicalStructure141050
structure data: <atom id="CARBAMYUL-L-ASPARTATE-atom1" elementType="C" x2="-10856.0" y2="-9940.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom2" elementType="O" x2="17329.0" y2="-2492.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom3" elementType="O" x2="17272.0" y2="-17387.0" formalCharge="-1"/> <atom id="CARBAMYUL-L-ASPARTATE-atom4" elementType="C" x2="13033.0" y2="-9940.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom5" elementType="O" x2="-17387.0" y2="-15497.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom6" elementType="O" x2="-16528.0" y2="-3408.0" formalCharge="-1"/> <atom id="CARBAMYUL-L-ASPARTATE-atom7" elementType="O" x2="-1116.0" y2="13949.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom8" elementType="N" x2="4783.0" y2="-1288.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom9" elementType="C" x2="-3352.0" y2="-9940.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom10" elementType="N" x2="10914.0" y2="13720.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom11" elementType="C" x2="4783.0" y2="7706.0"/> <atom id="CARBAMYUL-L-ASPARTATE-atom12" elementType="C" x2="4783.0" y2="-9940.0"/> <bond id="CARBAMYUL-L-ASPARTATE-bond1" atomRefs="CARBAMYUL-L-ASPARTATE-atom12 CARBAMYUL-L-ASPARTATE-atom9" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond2" atomRefs="CARBAMYUL-L-ASPARTATE-atom12 CARBAMYUL-L-ASPARTATE-atom8" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond3" atomRefs="CARBAMYUL-L-ASPARTATE-atom11 CARBAMYUL-L-ASPARTATE-atom10" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond4" atomRefs="CARBAMYUL-L-ASPARTATE-atom8 CARBAMYUL-L-ASPARTATE-atom11" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond5" atomRefs="CARBAMYUL-L-ASPARTATE-atom7 CARBAMYUL-L-ASPARTATE-atom11" order="2"/> <bond id="CARBAMYUL-L-ASPARTATE-bond6" atomRefs="CARBAMYUL-L-ASPARTATE-atom6 CARBAMYUL-L-ASPARTATE-atom1" order="1"/> <bond id="CARBAMYUL-L-ASPARTATE-bond7" atomRefs="CARBAMYUL-L-ASPARTATE-atom5 CARBAMYUL-L-ASPARTATE-atom1" order="2"/> <bond id="CARBAMYUL-L-ASPARTATE-bond8" atomRefs="CARBAMYUL-L-ASPARTATE-atom4 CARBAMYUL-L-ASPARTATE-atom12" order="1"/> <bond id="CAR…

biopax-level3ChemicalStructure168328
structure data: <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom1" elementType="C" x2="7789.0" y2="-2259.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom2" elementType="C" x2="4774.0" y2="-4540.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom3" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom4" elementType="C" x2="4287.0" y2="-3712.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom5" elementType="O" x2="9106.0" y2="-4000.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom6" elementType="O" x2="0.0" y2="-412.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom7" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom8" elementType="C" x2="6686.0" y2="-3486.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom9" elementType="C" x2="7492.0" y2="-3657.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom10" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom11" elementType="C" x2="5071.0" y2="-1807.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom12" elementType="C" x2="5556.0" y2="-2475.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom13" elementType="C" x2="6133.0" y2="-4098.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom14" elementType="C" x2="1429.0" y2="-2062.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom15" elementType="C" x2="2858.0" y2="-2888.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom16" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom17" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom18" elementType="C" x2="8851.0" y2="-3215.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom19" elementType="C" x2="8044.0" y2="-3044.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom20" elementType="C" x2="714.0" y2="-825.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-atom21" elementType="C" x2="3572.0" y2="-825.0"/> <atom id="3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX-ato…

CHEBI CHEBI:61722
structure data: InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3

CHEBI CHEBI:35877
structure data: InChI=1S/C5H5N3O/c9-4-8-5-1-6-3-7-2-5/h1-4H,(H,8,9)

biopax-level3ChemicalStructure164133
structure data: <atom id="5-METHYL-THF-atom1" elementType="C" x2="28910.0" y2="-25322.0"/> <atom id="5-METHYL-THF-atom2" elementType="N" x2="523.0" y2="0.0"/> <atom id="5-METHYL-THF-atom3" elementType="O" x2="91285.0" y2="-58297.0"/> <atom id="5-METHYL-THF-atom4" elementType="O" x2="89756.0" y2="-15976.0"/> <atom id="5-METHYL-THF-atom5" elementType="O" x2="73607.0" y2="-17506.0"/> <atom id="5-METHYL-THF-atom6" elementType="O" x2="14289.0" y2="-25322.0"/> <atom id="5-METHYL-THF-atom7" elementType="O" x2="103353.0" y2="-50989.0" formalCharge="-1"/> <atom id="5-METHYL-THF-atom8" elementType="O" x2="102333.0" y2="-23113.0" formalCharge="-1"/> <atom id="5-METHYL-THF-atom9" elementType="C" x2="54062.0" y2="-37903.0"/> <atom id="5-METHYL-THF-atom10" elementType="C" x2="54402.0" y2="-23623.0"/> <atom id="5-METHYL-THF-atom11" elementType="C" x2="62559.0" y2="-37903.0"/> <atom id="5-METHYL-THF-atom12" elementType="C" x2="62559.0" y2="-23623.0"/> <atom id="5-METHYL-THF-atom13" elementType="C" x2="90605.0" y2="-44022.0"/> <atom id="5-METHYL-THF-atom14" elementType="C" x2="94344.0" y2="-37223.0"/> <atom id="5-METHYL-THF-atom15" elementType="C" x2="42165.0" y2="-17166.0"/> <atom id="5-METHYL-THF-atom16" elementType="C" x2="35877.0" y2="-4928.0"/> <atom id="5-METHYL-THF-atom17" elementType="N" x2="14289.0" y2="-680.0"/> <atom id="5-METHYL-THF-atom18" elementType="N" x2="42165.0" y2="-30590.0"/> <atom id="5-METHYL-THF-atom19" elementType="N" x2="28910.0" y2="-680.0"/> <atom id="5-METHYL-THF-atom20" elementType="N" x2="82448.0" y2="-30590.0"/> <atom id="5-METHYL-THF-atom21" elementType="C" x2="95024.0" y2="-50989.0"/> <atom id="5-METHYL-THF-atom22" elementType="C" x2="94004.0" y2="-23113.0"/> <atom id="5-METHYL-THF-atom23" elementType="C" x2="73607.0" y2="-25832.0"/> <atom id="5-METHYL-THF-atom24" elementType="C" x2="49984.0" y2="-30590.0"/> <atom id="5-METHYL-THF-atom25" elementType="C" x2="7321.0" y2="-4928.0"/> <atom id="5-METHYL-THF-atom26" elementType="C" x2="66468.0" y2="-30936.0"/> <atom id=…

biopax-level3ChemicalStructure150799
structure data: <atom id="ESTRONE-SULFATE-atom1" elementType="C" x2="1240.0" y2="197360.0"/> <atom id="ESTRONE-SULFATE-atom2" elementType="O" x2="-304100.0" y2="227150.0"/> <atom id="ESTRONE-SULFATE-atom3" elementType="C" x2="1240.0" y2="266870.0"/> <atom id="ESTRONE-SULFATE-atom4" elementType="C" x2="75720.0" y2="161360.0"/> <atom id="ESTRONE-SULFATE-atom5" elementType="O" x2="363680.0" y2="2480.0"/> <atom id="ESTRONE-SULFATE-atom6" elementType="O" x2="-225900.0" y2="304100.0"/> <atom id="ESTRONE-SULFATE-atom7" elementType="C" x2="-74470.0" y2="302860.0"/> <atom id="ESTRONE-SULFATE-atom8" elementType="C" x2="379820.0" y2="125360.0"/> <atom id="ESTRONE-SULFATE-atom9" elementType="C" x2="75720.0" y2="302860.0"/> <atom id="ESTRONE-SULFATE-atom10" elementType="C" x2="151430.0" y2="54610.0"/> <atom id="ESTRONE-SULFATE-atom11" elementType="C" x2="228390.0" y2="161360.0"/> <atom id="ESTRONE-SULFATE-atom12" elementType="C" x2="-148950.0" y2="266870.0"/> <atom id="ESTRONE-SULFATE-atom13" elementType="C" x2="228390.0" y2="13650.0"/> <atom id="ESTRONE-SULFATE-atom14" elementType="C" x2="228390.0" y2="90610.0"/> <atom id="ESTRONE-SULFATE-atom15" elementType="C" x2="-148950.0" y2="197360.0"/> <atom id="ESTRONE-SULFATE-atom16" elementType="C" x2="-74470.0" y2="161360.0"/> <atom id="ESTRONE-SULFATE-atom17" elementType="C" x2="75720.0" y2="90610.0"/> <atom id="ESTRONE-SULFATE-atom18" elementType="C" x2="325200.0" y2="181220.0"/> <atom id="ESTRONE-SULFATE-atom19" elementType="O" x2="-381060.0" y2="304100.0" formalCharge="-1"/> <atom id="ESTRONE-SULFATE-atom20" elementType="O" x2="-304100.0" y2="381060.0"/> <atom id="ESTRONE-SULFATE-atom21" elementType="S" x2="-304100.0" y2="304100.0"/> <atom id="ESTRONE-SULFATE-atom22" elementType="C" x2="151430.0" y2="188670.0"/> <atom id="ESTRONE-SULFATE-atom23" elementType="C" x2="321480.0" y2="67030.0"/> <atom id="ESTRONE-SULFATE-atom24" elementType="C" x2="151430.0" y2="266870.0"/> <bond id="ESTRONE-SULFATE-bond1" atomRefs="ESTRONE-SULFATE-atom24 ESTRONE-SULF…

CHEBI CHEBI:30827
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh7-8H%2C2-6%2C9-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb8-7-

biopax-level3ChemicalStructure141589
structure data: <cml> <molecule id="CPD-8541" title="a [protein]-N4-(N-acetyl-D-glucosaminyl)-L-asparagine" formalCharge="0" dictRef="dictCPD-8541"> <atomArray> <atom id="CPD-8541-atom1" elementType="C" x2="-47483.0" y2="-30792.0"/> <atom id="CPD-8541-atom2" elementType="O" x2="-40338.0" y2="-34917.0"/> <atom id="CPD-8541-atom3" elementType="C" x2="-33193.0" y2="-30792.0"/> <atom id="CPD-8541-atom4" elementType="N" x2="-26049.0" y2="-34917.0"/> <atom id="CPD-8541-atom5" elementType="C" x2="-18904.0" y2="-30792.0"/> <atom id="CPD-8541-atom6" elementType="C" x2="-11759.0" y2="-34917.0"/> <atom id="CPD-8541-atom7" elementType="C" x2="-4615.0" y2="-30792.0"/> <atom id="CPD-8541-atom8" elementType="C" x2="2530.0" y2="-34917.0"/> <atom id="CPD-8541-atom9" elementType="Protein" x2="9675.0" y2="-30792.0"/> <atom id="CPD-8541-atom10" elementType="O" x2="2530.0" y2="-43167.0"/> <atom id="CPD-8541-atom11" elementType="N" x2="-4615.0" y2="-22542.0"/> <atom id="CPD-8541-atom12" elementType="Protein" x2="2530.0" y2="-18417.0"/> <atom id="CPD-8541-atom13" elementType="O" x2="-18904.0" y2="-22542.0"/> <atom id="CPD-8541-atom14" elementType="C" x2="-47483.0" y2="-22542.0"/> <atom id="CPD-8541-atom15" elementType="C" x2="-40338.0" y2="-18417.0"/> <atom id="CPD-8541-atom16" elementType="C" x2="-33194.0" y2="-22542.0"/> <atom id="CPD-8541-atom17" elementType="O" x2="-54628.0" y2="-18417.0"/> <atom id="CPD-8541-atom18" elementType="C" x2="-54627.0" y2="-34917.0"/> <atom id="CPD-8541-atom19" elementType="O" x2="-40338.0" y2="-10167.0"/> <atom id="CPD-8541-atom20" elementType="N" x2="-26049.0" y2="-18417.0"/> <atom id="CPD-8541-atom21" elementType="O" x2="-54627.0" y2="-43167.0"/> <atom id="CPD-8541-atom22" elementType="C" x2="-26049.0" y2="-10167.0"/> <atom id="CPD-8541-atom23" elementType="O" x2="-31882.0" y2="-4333.0"/> <atom id="CPD-8541-atom24" elementType="C" x2="-20215.0" y2="-4333.0"/> </atomArray> <bondArray> <bond id="CPD-8541-bond1" atomRefs="CPD-8541-atom3 CPD-8541-atom4" order="1"/> <bond id…

biopax-level3ChemicalStructure147780
structure data: <cml> <molecule id="L-1-PHOSPHATIDYL-GLYCEROL" title="an L-1-phosphatidyl-glycerol" formalCharge="-1" dictRef="dictL-1-PHOSPHATIDYL-GLYCEROL"> <atomArray> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom1" elementType="P" x2="7422.0" y2="-2929.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom2" elementType="O" x2="8247.0" y2="-2933.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom3" elementType="O" x2="7426.0" y2="-2104.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom4" elementType="C" x2="10390.0" y2="-3366.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom5" elementType="C" x2="8962.0" y2="-3346.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom6" elementType="O" x2="11111.0" y2="-2963.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom7" elementType="C" x2="9682.0" y2="-2943.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom8" elementType="O" x2="7418.0" y2="-3754.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom9" elementType="O" x2="9693.0" y2="-2118.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom10" elementType="O" x2="6597.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom11" elementType="R1" x2="2311.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom12" elementType="C" x2="3025.0" y2="-3338.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom13" elementType="O" x2="3739.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom14" elementType="C" x2="4454.0" y2="-3338.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom15" elementType="C" x2="5168.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom16" elementType="C" x2="5883.0" y2="-3338.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom17" elementType="O" x2="3025.0" y2="-4162.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom18" elementType="O" x2="5168.0" y2="-2100.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom19" elementType="C" x2="4454.0" y2="-1688.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom20" elementType="R2" x2="3739.0" y2="-2100.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-atom21" elementType="O" x2="4454.0" y2="-862.0"/> </atom…

CHEBI CHEBI:32392
structure data: InChI%3D1S%2FC24H46O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24%2825%2926%2Fh9-10H%2C2-8%2C11-23H2%2C1H3%2C%28H%2C25%2C26%29%2Fp-1%2Fb10-9-

CHEBI CHEBI:59190
structure data: InChI%3D1S%2FC28H31NO5.CH4O3S%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%3B1-5%282%2C3%294%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft23-%3B%2Fm0.%2Fs1

biopax-level3ChemicalStructure140441
structure data: <atom id="CYTIDINE-atom1" elementType="N" x2="0.0" y2="825.0"/> <atom id="CYTIDINE-atom2" elementType="C" x2="714.0" y2="412.0"/> <atom id="CYTIDINE-atom3" elementType="C" x2="-714.0" y2="412.0"/> <atom id="CYTIDINE-atom4" elementType="N" x2="714.0" y2="-412.0"/> <atom id="CYTIDINE-atom5" elementType="C" x2="0.0" y2="-825.0"/> <atom id="CYTIDINE-atom6" elementType="C" x2="-714.0" y2="-412.0"/> <atom id="CYTIDINE-atom7" elementType="C" x2="0.0" y2="1650.0"/> <atom id="CYTIDINE-atom8" elementType="O" x2="-667.0" y2="2135.0"/> <atom id="CYTIDINE-atom9" elementType="C" x2="667.0" y2="2135.0"/> <atom id="CYTIDINE-atom10" elementType="C" x2="-412.0" y2="2920.0"/> <atom id="CYTIDINE-atom11" elementType="C" x2="412.0" y2="2920.0"/> <atom id="CYTIDINE-atom12" elementType="O" x2="1452.0" y2="1880.0"/> <atom id="CYTIDINE-atom13" elementType="O" x2="1429.0" y2="825.0"/> <atom id="CYTIDINE-atom14" elementType="O" x2="897.0" y2="3587.0"/> <atom id="CYTIDINE-atom15" elementType="N" x2="0.0" y2="-1650.0"/> <atom id="CYTIDINE-atom16" elementType="C" x2="-897.0" y2="3587.0"/> <atom id="CYTIDINE-atom17" elementType="O" x2="-562.0" y2="4341.0"/> <bond id="CYTIDINE-bond1" atomRefs="CYTIDINE-atom7 CYTIDINE-atom1" order="1"/> <bond id="CYTIDINE-bond2" atomRefs="CYTIDINE-atom1 CYTIDINE-atom2" order="1"/> <bond id="CYTIDINE-bond3" atomRefs="CYTIDINE-atom2 CYTIDINE-atom13" order="2"/> <bond id="CYTIDINE-bond4" atomRefs="CYTIDINE-atom1 CYTIDINE-atom3" order="1"/> <bond id="CYTIDINE-bond5" atomRefs="CYTIDINE-atom2 CYTIDINE-atom4" order="1"/> <bond id="CYTIDINE-bond6" atomRefs="CYTIDINE-atom4 CYTIDINE-atom5" order="2"/> <bond id="CYTIDINE-bond7" atomRefs="CYTIDINE-atom5 CYTIDINE-atom15" order="1"/> <bond id="CYTIDINE-bond8" atomRefs="CYTIDINE-atom3 CYTIDINE-atom6" order="2"/> <bond id="CYTIDINE-bond9" atomRefs="CYTIDINE-atom6 CYTIDINE-atom5" order="1"/> <bond id="CYTIDINE-bond10" atomRefs="CYTIDINE-atom7 CYTIDINE-atom8" order="1"/> <bond id="CYTIDINE-bond11" atomRefs="CYTIDINE-atom7 CYTIDINE-at…

biopax-level3ChemicalStructure162818
structure data: <atom id="L-OCTANOYLCARNITINE-atom1" elementType="C" x2="1556.0" y2="958.0"/> <atom id="L-OCTANOYLCARNITINE-atom2" elementType="O" x2="1484.0" y2="1000.0"/> <atom id="L-OCTANOYLCARNITINE-atom3" elementType="C" x2="1628.0" y2="999.0"/> <atom id="L-OCTANOYLCARNITINE-atom4" elementType="C" x2="1556.0" y2="876.0"/> <atom id="L-OCTANOYLCARNITINE-atom5" elementType="C" x2="1412.0" y2="958.0"/> <atom id="L-OCTANOYLCARNITINE-atom6" elementType="N" x2="1628.0" y2="1082.0" formalCharge="1"/> <atom id="L-OCTANOYLCARNITINE-atom7" elementType="C" x2="1628.0" y2="834.0"/> <atom id="L-OCTANOYLCARNITINE-atom8" elementType="C" x2="1341.0" y2="1000.0"/> <atom id="L-OCTANOYLCARNITINE-atom9" elementType="O" x2="1412.0" y2="876.0"/> <atom id="L-OCTANOYLCARNITINE-atom10" elementType="C" x2="1704.0" y2="1120.0"/> <atom id="L-OCTANOYLCARNITINE-atom11" elementType="C" x2="1556.0" y2="1124.0"/> <atom id="L-OCTANOYLCARNITINE-atom12" elementType="C" x2="1649.0" y2="1170.0"/> <atom id="L-OCTANOYLCARNITINE-atom13" elementType="O" x2="1627.0" y2="751.0"/> <atom id="L-OCTANOYLCARNITINE-atom14" elementType="O" x2="1699.0" y2="876.0" formalCharge="-1"/> <atom id="L-OCTANOYLCARNITINE-atom15" elementType="C" x2="1270.0" y2="959.0"/> <atom id="L-OCTANOYLCARNITINE-atom16" elementType="C" x2="1199.0" y2="1000.0"/> <atom id="L-OCTANOYLCARNITINE-atom17" elementType="C" x2="1127.0" y2="960.0"/> <atom id="L-OCTANOYLCARNITINE-atom18" elementType="C" x2="1055.0" y2="1000.0"/> <atom id="L-OCTANOYLCARNITINE-atom19" elementType="C" x2="984.0" y2="960.0"/> <atom id="L-OCTANOYLCARNITINE-atom20" elementType="C" x2="912.0" y2="1001.0"/> <bond id="L-OCTANOYLCARNITINE-bond1" atomRefs="L-OCTANOYLCARNITINE-atom19 L-OCTANOYLCARNITINE-atom20" order="1"/> <bond id="L-OCTANOYLCARNITINE-bond2" atomRefs="L-OCTANOYLCARNITINE-atom18 L-OCTANOYLCARNITINE-atom19" order="1"/> <bond id="L-OCTANOYLCARNITINE-bond3" atomRefs="L-OCTANOYLCARNITINE-atom17 L-OCTANOYLCARNITINE-atom18" order="1"/> <bond id="L-OCTANOYLCARNITINE-bond4" atomRefs…

CHEBI CHEBI:9943
structure data: InChI%3D1S%2FC17H27NO2%2Fc1-18%282%2913-16%2817%2819%2911-5-4-6-12-17%2914-7-9-15%2820-3%2910-8-14%2Fh7-10%2C16%2C19H%2C4-6%2C11-13H2%2C1-3H3

CHEBI CHEBI:17167
structure data: InChI%3D1S%2FC3H6O2%2Fc1-3%285%292-4%2Fh2-3%2C5H%2C1H3%2Ft3-%2Fm1%2Fs1

CHEBI CHEBI:27956
structure data: InChI%3D1S%2FC6H6O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-8H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure133371
structure data: <atom id="RIBOSE-5P-atom1" elementType="O" x2="20058.0" y2="6299.0"/> <atom id="RIBOSE-5P-atom2" elementType="C" x2="13384.0" y2="11149.0"/> <atom id="RIBOSE-5P-atom3" elementType="C" x2="15933.0" y2="18995.0"/> <atom id="RIBOSE-5P-atom4" elementType="C" x2="24183.0" y2="18995.0"/> <atom id="RIBOSE-5P-atom5" elementType="C" x2="26732.0" y2="11149.0"/> <atom id="RIBOSE-5P-atom6" elementType="O" x2="34701.0" y2="9014.0"/> <atom id="RIBOSE-5P-atom7" elementType="O" x2="28308.0" y2="26139.0"/> <atom id="RIBOSE-5P-atom8" elementType="O" x2="11808.0" y2="26139.0"/> <atom id="RIBOSE-5P-atom9" elementType="C" x2="6239.0" y2="7024.0"/> <atom id="RIBOSE-5P-atom10" elementType="O" x2="4104.0" y2="-945.0"/> <atom id="RIBOSE-5P-atom11" elementType="P" x2="-3041.0" y2="-5070.0"/> <atom id="RIBOSE-5P-atom12" elementType="O" x2="-10186.0" y2="-9195.0" formalCharge="-1"/> <atom id="RIBOSE-5P-atom13" elementType="O" x2="1084.0" y2="-12215.0"/> <atom id="RIBOSE-5P-atom14" elementType="O" x2="-7166.0" y2="2075.0" formalCharge="-1"/> <bond id="RIBOSE-5P-bond1" atomRefs="RIBOSE-5P-atom1 RIBOSE-5P-atom2" order="1"/> <bond id="RIBOSE-5P-bond2" atomRefs="RIBOSE-5P-atom2 RIBOSE-5P-atom3" order="1"/> <bond id="RIBOSE-5P-bond3" atomRefs="RIBOSE-5P-atom3 RIBOSE-5P-atom4" order="1"/> <bond id="RIBOSE-5P-bond4" atomRefs="RIBOSE-5P-atom4 RIBOSE-5P-atom5" order="1"/> <bond id="RIBOSE-5P-bond5" atomRefs="RIBOSE-5P-atom1 RIBOSE-5P-atom5" order="1"/> <bond id="RIBOSE-5P-bond6" atomRefs="RIBOSE-5P-atom5 RIBOSE-5P-atom6" order="1"/> <bond id="RIBOSE-5P-bond7" atomRefs="RIBOSE-5P-atom4 RIBOSE-5P-atom7" order="1"/> <bond id="RIBOSE-5P-bond8" atomRefs="RIBOSE-5P-atom3 RIBOSE-5P-atom8" order="1"/> <bond id="RIBOSE-5P-bond9" atomRefs="RIBOSE-5P-atom2 RIBOSE-5P-atom9" order="1"/> <bond id="RIBOSE-5P-bond10" atomRefs="RIBOSE-5P-atom9 RIBOSE-5P-atom10" order="1"/> <bond id="RIBOSE-5P-bond11" atomRefs="RIBOSE-5P-atom10 RIBOSE-5P-atom11" order="1"/> <bond id="RIBOSE-5P-bond12" atomRefs="RIBOSE-5P-atom11 RIBOSE-5P…

CHEBI CHEBI:27432
structure data: InChI%3D1S%2FC18H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fb4-3-%2C7-6-%2C10-9-

CHEBI CHEBI:18189
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-3-2%281-12-14%289%2C10%2911%2913-5%288%294%283%297%2Fh2-8H%2C1H2%2C%28H2%2C9%2C10%2C11%29%2Ft2-%2C3-%2C4-%2C5%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure126325
structure data: <atom id="LEU-atom1" elementType="C" x2="1571.0" y2="1165.0"/> <atom id="LEU-atom2" elementType="C" x2="1499.0" y2="1124.0"/> <atom id="LEU-atom3" elementType="C" x2="1642.0" y2="1124.0"/> <atom id="LEU-atom4" elementType="N" x2="1571.0" y2="1248.0" formalCharge="1"/> <atom id="LEU-atom5" elementType="C" x2="1428.0" y2="1165.0"/> <atom id="LEU-atom6" elementType="O" x2="1714.0" y2="1165.0" formalCharge="-1"/> <atom id="LEU-atom7" elementType="O" x2="1642.0" y2="1042.0"/> <atom id="LEU-atom8" elementType="C" x2="1356.0" y2="1124.0"/> <atom id="LEU-atom9" elementType="C" x2="1428.0" y2="1248.0"/> <bond id="LEU-bond1" atomRefs="LEU-atom1 LEU-atom2" order="1"/> <bond id="LEU-bond2" atomRefs="LEU-atom1 LEU-atom3" order="1"/> <bond id="LEU-bond3" atomRefs="LEU-atom1 LEU-atom4" order="1"/> <bond id="LEU-bond4" atomRefs="LEU-atom2 LEU-atom5" order="1"/> <bond id="LEU-bond5" atomRefs="LEU-atom3 LEU-atom6" order="1"/> <bond id="LEU-bond6" atomRefs="LEU-atom3 LEU-atom7" order="2"/> <bond id="LEU-bond7" atomRefs="LEU-atom5 LEU-atom8" order="1"/> <bond id="LEU-bond8" atomRefs="LEU-atom5 LEU-atom9" order="1"/> <formula concise="H 13 O 2 N 1 C 6"/> 131.174 C(=O)([O-])C([N+])CC(C)C

CHEBI CHEBI:9947
structure data: InChI%3D1S%2FC27H43NO8%2Fc1-14-4-7-18-22%283%2C31%2926%2834%2917%2812-28%2818%2911-14%2924%2833%2913-25-16%2823%2824%2C32%2910-20%2826%2930%296-5-15-21%2825%2C2%299-8-19%2829%2927%2815%2C35%2936-25%2Fh14-20%2C29-35H%2C4-13H2%2C1-3H3%2Ft14-%2C15-%2C16-%2C17-%2C18-%2C19-%2C20-%2C21-%2C22%2B%2C23%2B%2C24%2B%2C25%2B%2C26-%2C27-%2Fm0%2Fs1

biopax-level3ChemicalStructure140132
structure data: <cml> <molecule id="Acyl-Phosphates" title="an acyl phosphate" formalCharge="-2" dictRef="dictAcyl-Phosphates"> <atomArray> <atom id="Acyl-Phosphates-atom1" elementType="O" x2="2364.0" y2="-2071.0"/> <atom id="Acyl-Phosphates-atom2" elementType="O" x2="817.0" y2="-1650.0"/> <atom id="Acyl-Phosphates-atom3" elementType="O" x2="0.0" y2="-819.0" formalCharge="-1"/> <atom id="Acyl-Phosphates-atom4" elementType="O" x2="816.0" y2="0.0" formalCharge="-1"/> <atom id="Acyl-Phosphates-atom5" elementType="R" x2="3079.0" y2="-833.0"/> <atom id="Acyl-Phosphates-atom6" elementType="O" x2="1650.0" y2="-833.0"/> <atom id="Acyl-Phosphates-atom7" elementType="C" x2="2364.0" y2="-1246.0"/> <atom id="Acyl-Phosphates-atom8" elementType="P" x2="825.0" y2="-825.0"/> </atomArray> <bondArray> <bond id="Acyl-Phosphates-bond1" atomRefs="Acyl-Phosphates-atom6 Acyl-Phosphates-atom8" order="1"/> <bond id="Acyl-Phosphates-bond2" atomRefs="Acyl-Phosphates-atom6 Acyl-Phosphates-atom7" order="1"/> <bond id="Acyl-Phosphates-bond3" atomRefs="Acyl-Phosphates-atom5 Acyl-Phosphates-atom7" order="1"/> <bond id="Acyl-Phosphates-bond4" atomRefs="Acyl-Phosphates-atom4 Acyl-Phosphates-atom8" order="1"/> <bond id="Acyl-Phosphates-bond5" atomRefs="Acyl-Phosphates-atom3 Acyl-Phosphates-atom8" order="1"/> <bond id="Acyl-Phosphates-bond6" atomRefs="Acyl-Phosphates-atom2 Acyl-Phosphates-atom8" order="2"/> <bond id="Acyl-Phosphates-bond7" atomRefs="Acyl-Phosphates-atom1 Acyl-Phosphates-atom7" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([R])OP(=O)([O-])[O-]</string> </molecule> </cml>

CHEBI CHEBI:18139
structure data: InChI%3D1S%2FC3H9N%2Fc1-4%282%293%2Fh1-3H3

CHEBI CHEBI:36254
structure data: InChI%3D1S%2FC4H6O2%2Fc1-2-3-4%285%296%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29%2Fp-1%2Fb3-2-

CHEBI CHEBI:16704
structure data: InChI%3D1S%2FC9H12N2O6%2Fc12-3-4-6%2814%297%2815%298%2817-4%2911-2-1-5%2813%2910-9%2811%2916%2Fh1-2%2C4%2C6-8%2C12%2C14-15H%2C3H2%2C%28H%2C10%2C13%2C16%29%2Ft4-%2C6-%2C7-%2C8-%2Fm1%2Fs1

biopax-level3ChemicalStructure176102
structure data: <cml> <molecule id="CPD-6262" title="a [Cys-Gly]-S-conjugate" formalCharge="0"> <atomArray> <atom id="CPD-6262-atom1" elementType="N" x2="126230.0" y2="-207440.0"/> <atom id="CPD-6262-atom2" elementType="O" x2="495060.0" y2="-2140.0"/> <atom id="CPD-6262-atom3" elementType="O" x2="375600.0" y2="-69150.0"/> <atom id="CPD-6262-atom4" elementType="O" x2="744410.0" y2="0.0"/> <atom id="CPD-6262-atom5" elementType="R" x2="0.0" y2="-500830.0"/> <atom id="CPD-6262-atom6" elementType="C" x2="620790.0" y2="-207440.0"/> <atom id="CPD-6262-atom7" elementType="C" x2="245670.0" y2="-412820.0"/> <atom id="CPD-6262-atom8" elementType="N" x2="497130.0" y2="-274520.0"/> <atom id="CPD-6262-atom9" elementType="S" x2="138800.0" y2="-500830.0"/> <atom id="CPD-6262-atom10" elementType="C" x2="620790.0" y2="-58720.0"/> <atom id="CPD-6262-atom11" elementType="C" x2="375600.0" y2="-207440.0"/> <atom id="CPD-6262-atom12" elementType="C" x2="245670.0" y2="-274520.0"/> </atomArray> <bondArray> <bond id="CPD-6262-bond1" atomRefs="CPD-6262-atom11 CPD-6262-atom12" order="1"/> <bond id="CPD-6262-bond2" atomRefs="CPD-6262-atom8 CPD-6262-atom11" order="1"/> <bond id="CPD-6262-bond3" atomRefs="CPD-6262-atom7 CPD-6262-atom12" order="1"/> <bond id="CPD-6262-bond4" atomRefs="CPD-6262-atom7 CPD-6262-atom9" order="1"/> <bond id="CPD-6262-bond5" atomRefs="CPD-6262-atom6 CPD-6262-atom10" order="1"/> <bond id="CPD-6262-bond6" atomRefs="CPD-6262-atom6 CPD-6262-atom8" order="1"/> <bond id="CPD-6262-bond7" atomRefs="CPD-6262-atom5 CPD-6262-atom9" order="1"/> <bond id="CPD-6262-bond8" atomRefs="CPD-6262-atom4 CPD-6262-atom10" order="1"/> <bond id="CPD-6262-bond9" atomRefs="CPD-6262-atom3 CPD-6262-atom11" order="2"/> <bond id="CPD-6262-bond10" atomRefs="CPD-6262-atom2 CPD-6262-atom10" order="2"/> <bond id="CPD-6262-bond11" atomRefs="CPD-6262-atom1 CPD-6262-atom12" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(NC(=O)C(N)CS[R])C(=O)O</string> </molecule> </cml>

CHEBI CHEBI:37250
structure data: InChI%3D1S%2FC16H32O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15%2817%2914-16%2818%2919%2Fh15%2C17H%2C2-14H2%2C1H3%2C%28H%2C18%2C19%29%2Ft15-%2Fm0%2Fs1

CHEBI CHEBI:63700
structure data: InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18-%2C20-%2C22-%2Fm0%2Fs1

biopax-level3ChemicalStructure172092
structure data: <atom id="CPD-9976-atom1" elementType="C" x2="-22192.0" y2="-20752.0"/> <atom id="CPD-9976-atom2" elementType="C" x2="-29334.0" y2="-16622.0"/> <atom id="CPD-9976-atom3" elementType="C" x2="-29334.0" y2="-8381.0"/> <atom id="CPD-9976-atom4" elementType="C" x2="-22192.0" y2="-4251.0"/> <atom id="CPD-9976-atom5" elementType="C" x2="-15042.0" y2="-16622.0"/> <atom id="CPD-9976-atom6" elementType="C" x2="-22192.0" y2="-29004.0"/> <atom id="CPD-9976-atom7" elementType="C" x2="-7901.0" y2="-20752.0"/> <atom id="CPD-9976-atom8" elementType="C" x2="-22192.0" y2="4001.0"/> <atom id="CPD-9976-atom9" elementType="C" x2="-29334.0" y2="8121.0"/> <atom id="CPD-9976-atom10" elementType="O" x2="1161.0" y2="-14942.0"/> <atom id="CPD-9976-atom11" elementType="C" x2="-15042.0" y2="8121.0"/> <atom id="CPD-9976-atom12" elementType="O" x2="-15042.0" y2="16382.0"/> <bond id="CPD-9976-bond1" atomRefs="CPD-9976-atom11 CPD-9976-atom12" order="1"/> <bond id="CPD-9976-bond2" atomRefs="CPD-9976-atom8 CPD-9976-atom9" order="1"/> <bond id="CPD-9976-bond3" atomRefs="CPD-9976-atom8 CPD-9976-atom11" order="1"/> <bond id="CPD-9976-bond4" atomRefs="CPD-9976-atom4 CPD-9976-atom8" order="2"/> <bond id="CPD-9976-bond5" atomRefs="CPD-9976-atom7 CPD-9976-atom10" order="2"/> <bond id="CPD-9976-bond6" atomRefs="CPD-9976-atom5 CPD-9976-atom7" order="1"/> <bond id="CPD-9976-bond7" atomRefs="CPD-9976-atom1 CPD-9976-atom6" order="1"/> <bond id="CPD-9976-bond8" atomRefs="CPD-9976-atom3 CPD-9976-atom4" order="1"/> <bond id="CPD-9976-bond9" atomRefs="CPD-9976-atom2 CPD-9976-atom3" order="1"/> <bond id="CPD-9976-bond10" atomRefs="CPD-9976-atom1 CPD-9976-atom5" order="2"/> <bond id="CPD-9976-bond11" atomRefs="CPD-9976-atom1 CPD-9976-atom2" order="1"/> <formula concise="H 16 O 2 C 10"/> 168.235 CC(CCC=C(CO)C)=CC=O

CHEBI CHEBI:53454
structure data: InChI%3D1S%2FC20H28O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh2-8%2C11%2C14%2C17-19H2%2C1H3%2C%28H%2C21%2C22%29

CHEBI CHEBI:59805
structure data: InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3%2Ft13-%2Fm0%2Fs1

biopax-level3ChemicalStructure167090
structure data: <atom id="CPD-4522-atom1" elementType="C" x2="23645.0" y2="47439.0"/> <atom id="CPD-4522-atom2" elementType="C" x2="16500.0" y2="35063.0"/> <atom id="CPD-4522-atom3" elementType="C" x2="45080.0" y2="-47439.0"/> <atom id="CPD-4522-atom4" elementType="C" x2="37935.0" y2="-35063.0"/> <atom id="CPD-4522-atom5" elementType="C" x2="52224.0" y2="-35063.0"/> <atom id="CPD-4522-atom6" elementType="C" x2="65705.0" y2="-7293.0"/> <atom id="CPD-4522-atom7" elementType="C" x2="65705.0" y2="-21582.0"/> <atom id="CPD-4522-atom8" elementType="C" x2="37935.0" y2="-26813.0"/> <atom id="CPD-4522-atom9" elementType="C" x2="52224.0" y2="-26813.0"/> <atom id="CPD-4522-atom10" elementType="C" x2="37935.0" y2="-2063.0"/> <atom id="CPD-4522-atom11" elementType="C" x2="52224.0" y2="-2063.0"/> <atom id="CPD-4522-atom12" elementType="C" x2="37935.0" y2="6188.0"/> <atom id="CPD-4522-atom13" elementType="C" x2="52224.0" y2="6188.0"/> <atom id="CPD-4522-atom14" elementType="C" x2="73955.0" y2="-7293.0"/> <atom id="CPD-4522-atom15" elementType="C" x2="73955.0" y2="-21582.0"/> <atom id="CPD-4522-atom16" elementType="C" x2="30791.0" y2="43313.0"/> <atom id="CPD-4522-atom17" elementType="C" x2="23645.0" y2="30938.0"/> <atom id="CPD-4522-atom18" elementType="C" x2="37935.0" y2="30938.0"/> <atom id="CPD-4522-atom19" elementType="C" x2="37935.0" y2="22688.0"/> <atom id="CPD-4522-atom20" elementType="C" x2="53330.0" y2="-14438.0"/> <atom id="CPD-4522-atom21" elementType="C" x2="45080.0" y2="-39188.0"/> <atom id="CPD-4522-atom22" elementType="C" x2="61580.0" y2="-14438.0"/> <atom id="CPD-4522-atom23" elementType="C" x2="45080.0" y2="-22688.0"/> <atom id="CPD-4522-atom24" elementType="C" x2="45080.0" y2="-6188.0"/> <atom id="CPD-4522-atom25" elementType="C" x2="45080.0" y2="10313.0"/> <atom id="CPD-4522-atom26" elementType="C" x2="78081.0" y2="-14438.0"/> <atom id="CPD-4522-atom27" elementType="C" x2="45080.0" y2="-14438.0"/> <atom id="CPD-4522-atom28" elementType="N" x2="30791.0" y2="35063.0" formalCharge…

biopax-level3ChemicalStructure172099
structure data: <atom id="CPD-9978-atom1" elementType="C" x2="-22192.0" y2="-20752.0"/> <atom id="CPD-9978-atom2" elementType="C" x2="-29334.0" y2="-16622.0"/> <atom id="CPD-9978-atom3" elementType="C" x2="-29334.0" y2="-8381.0"/> <atom id="CPD-9978-atom4" elementType="C" x2="-22192.0" y2="-4251.0"/> <atom id="CPD-9978-atom5" elementType="C" x2="-15042.0" y2="-16622.0"/> <atom id="CPD-9978-atom6" elementType="C" x2="-22192.0" y2="-29004.0"/> <atom id="CPD-9978-atom7" elementType="C" x2="-7901.0" y2="-20752.0"/> <atom id="CPD-9978-atom8" elementType="C" x2="-22192.0" y2="4001.0"/> <atom id="CPD-9978-atom9" elementType="C" x2="-29334.0" y2="8121.0"/> <atom id="CPD-9978-atom10" elementType="O" x2="1161.0" y2="-14942.0"/> <atom id="CPD-9978-atom11" elementType="C" x2="-15042.0" y2="8121.0"/> <atom id="CPD-9978-atom12" elementType="O" x2="-15042.0" y2="16382.0"/> <bond id="CPD-9978-bond1" atomRefs="CPD-9978-atom11 CPD-9978-atom12" order="2"/> <bond id="CPD-9978-bond2" atomRefs="CPD-9978-atom8 CPD-9978-atom9" order="1"/> <bond id="CPD-9978-bond3" atomRefs="CPD-9978-atom8 CPD-9978-atom11" order="1"/> <bond id="CPD-9978-bond4" atomRefs="CPD-9978-atom4 CPD-9978-atom8" order="2"/> <bond id="CPD-9978-bond5" atomRefs="CPD-9978-atom7 CPD-9978-atom10" order="2"/> <bond id="CPD-9978-bond6" atomRefs="CPD-9978-atom5 CPD-9978-atom7" order="1"/> <bond id="CPD-9978-bond7" atomRefs="CPD-9978-atom1 CPD-9978-atom6" order="1"/> <bond id="CPD-9978-bond8" atomRefs="CPD-9978-atom3 CPD-9978-atom4" order="1"/> <bond id="CPD-9978-bond9" atomRefs="CPD-9978-atom2 CPD-9978-atom3" order="1"/> <bond id="CPD-9978-bond10" atomRefs="CPD-9978-atom1 CPD-9978-atom5" order="2"/> <bond id="CPD-9978-bond11" atomRefs="CPD-9978-atom1 CPD-9978-atom2" order="1"/> <formula concise="H 14 O 2 C 10"/> 166.219 CC(CCC=C(C=O)C)=CC=O

biopax-level3ChemicalStructure169758
structure data: <atom id="CPD-11960-atom1" elementType="C" x2="-14732.0" y2="1178.0"/> <atom id="CPD-11960-atom2" elementType="C" x2="-21877.0" y2="5303.0"/> <atom id="CPD-11960-atom3" elementType="C" x2="-21877.0" y2="13554.0"/> <atom id="CPD-11960-atom4" elementType="C" x2="-14732.0" y2="17679.0"/> <atom id="CPD-11960-atom5" elementType="C" x2="-7587.0" y2="13554.0"/> <atom id="CPD-11960-atom6" elementType="C" x2="-7587.0" y2="5303.0"/> <atom id="CPD-11960-atom7" elementType="C" x2="-443.0" y2="1178.0"/> <atom id="CPD-11960-atom8" elementType="O" x2="-443.0" y2="17679.0"/> <atom id="CPD-11960-atom9" elementType="C" x2="6702.0" y2="13554.0"/> <atom id="CPD-11960-atom10" elementType="C" x2="6702.0" y2="5303.0"/> <atom id="CPD-11960-atom11" elementType="C" x2="-14732.0" y2="-7072.0"/> <atom id="CPD-11960-atom12" elementType="O" x2="-29022.0" y2="1179.0"/> <atom id="CPD-11960-atom13" elementType="C" x2="-29022.0" y2="17679.0"/> <atom id="CPD-11960-atom14" elementType="C" x2="-14732.0" y2="25929.0"/> <atom id="CPD-11960-atom15" elementType="C" x2="13847.0" y2="9429.0"/> <atom id="CPD-11960-atom16" elementType="C" x2="20991.0" y2="13554.0"/> <atom id="CPD-11960-atom17" elementType="C" x2="28136.0" y2="9429.0"/> <atom id="CPD-11960-atom18" elementType="C" x2="35281.0" y2="13554.0"/> <atom id="CPD-11960-atom19" elementType="C" x2="42425.0" y2="9429.0"/> <atom id="CPD-11960-atom20" elementType="C" x2="49570.0" y2="13554.0"/> <atom id="CPD-11960-atom21" elementType="C" x2="56715.0" y2="9429.0"/> <atom id="CPD-11960-atom22" elementType="C" x2="63860.0" y2="13554.0"/> <atom id="CPD-11960-atom23" elementType="C" x2="71004.0" y2="9429.0"/> <atom id="CPD-11960-atom24" elementType="C" x2="78149.0" y2="13554.0"/> <atom id="CPD-11960-atom25" elementType="C" x2="85294.0" y2="9429.0"/> <atom id="CPD-11960-atom26" elementType="C" x2="92438.0" y2="13554.0"/> <atom id="CPD-11960-atom27" elementType="C" x2="99583.0" y2="9429.0"/> <atom id="CPD-11960-atom28" elementType="C" x2="10827.0" y2="20698.0"/> <a…

biopax-level3ChemicalStructure162027
structure data: <atom id="DEHYDROSPHINGANINE-atom1" elementType="C" x2="0.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom2" elementType="N" x2="11474.0" y2="-2072.0" formalCharge="1"/> <atom id="DEHYDROSPHINGANINE-atom3" elementType="O" x2="12916.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom4" elementType="O" x2="10761.0" y2="0.0"/> <atom id="DEHYDROSPHINGANINE-atom5" elementType="C" x2="713.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom6" elementType="C" x2="1426.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom7" elementType="C" x2="2139.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom8" elementType="C" x2="2868.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom9" elementType="C" x2="3581.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom10" elementType="C" x2="4294.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom11" elementType="C" x2="5024.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom12" elementType="C" x2="5737.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom13" elementType="C" x2="6450.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom14" elementType="C" x2="7163.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom15" elementType="C" x2="7892.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom16" elementType="C" x2="8606.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom17" elementType="C" x2="9318.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom18" elementType="C" x2="12204.0" y2="-829.0"/> <atom id="DEHYDROSPHINGANINE-atom19" elementType="C" x2="10048.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom20" elementType="C" x2="11474.0" y2="-1244.0"/> <atom id="DEHYDROSPHINGANINE-atom21" elementType="C" x2="10761.0" y2="-829.0"/> <bond id="DEHYDROSPHINGANINE-bond1" atomRefs="DEHYDROSPHINGANINE-atom20 DEHYDROSPHINGANINE-atom21" order="1"/> <bond id="DEHYDROSPHINGANINE-bond2" atomRefs="DEHYDROSPHINGANINE-atom19 DEHYDROSPHINGANINE-atom21" order="1"/> <bond id="DEHYDROSPHINGANINE-bond3" atomRefs="DEHYDROSPHINGANINE-atom18 DEHYDROSPHINGANINE-atom20" o…

CHEBI CHEBI:15379
structure data: InChI%3D1S%2FO2%2Fc1-2

CHEBI CHEBI:27140
structure data: InChI%3D1S%2FO2%2Fc1-2

CHEBI CHEBI:26689
structure data: InChI%3D1S%2FO2%2Fc1-2

CHEBI CHEBI:18401
structure data: InChI%3D1S%2FC8H8O2%2Fc9-8%2810%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H%2C9%2C10%29%2Fp-1

biopax-level3ChemicalStructure151341
structure data: <cml> <molecule id="Deoxy-Ribonucleoside-Triphosphates" title="a deoxyribonucleoside triphosphate" formalCharge="0" dictRef="dictDeoxy-Ribonucleoside-Triphosphates"> <atomArray> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom1" elementType="O" x2="831.0" y2="-1695.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom2" elementType="O" x2="2376.0" y2="0.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom3" elementType="O" x2="829.0" y2="-3344.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom4" elementType="R1" x2="4726.0" y2="-1707.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom5" elementType="C" x2="1822.0" y2="-1707.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom6" elementType="C" x2="3686.0" y2="-667.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom7" elementType="O" x2="1650.0" y2="-2514.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom8" elementType="O" x2="3274.0" y2="-1937.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom9" elementType="C" x2="2861.0" y2="-667.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom10" elementType="C" x2="3941.0" y2="-1452.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom11" elementType="C" x2="2606.0" y2="-1452.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom12" elementType="P" x2="825.0" y2="-2520.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom13" elementType="O" x2="0.0" y2="-2521.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom14" elementType="P" x2="-825.0" y2="-2521.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom15" elementType="O" x2="-825.0" y2="-1696.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom16" elementType="O" x2="-825.0" y2="-3346.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom17" elementType="O" x2="-1650.0" y2="-2521.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom18" elementType="P" x2="-2475.0" y2="-2521.0"/> <atom id="Deoxy-Ribonucleoside-Triphosphates-atom19" elementType="O" x2="-2475.0" y2="-1696.0"/> <atom id="Deoxy…

CHEBI CHEBI:34310
structure data: InChI%3D1S%2FC27H46O2%2Fc1-17%282%2925%2829%2911-6-18%283%2922-9-10-23-21-8-7-19-16-20%2828%2912-14-26%2819%2C4%2924%2821%2913-15-27%2822%2C23%295%2Fh7%2C17-18%2C20-25%2C28-29H%2C6%2C8-16H2%2C1-5H3%2Ft18-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:15960
structure data: InChI%3D1S%2FC9H17NO4%2Fc1-7%2811%2914-8%285-9%2812%2913%296-10%282%2C3%294%2Fh8H%2C5-6H2%2C1-4H3%2Fp%2B1%2Ft8-%2Fm1%2Fs1

CHEBI CHEBI:53487
structure data: InChI%3D1S%2FC22H36O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh6-7%2C9-10%2C12-13%2C15-16H%2C2-5%2C8%2C11%2C14%2C17-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-

CHEBI CHEBI:29146
structure data: InChI%3D1S%2FC7H5N5%2Fc1-2-12-4-11-6-5%287%2812%298-1%299-3-10-6%2Fh1-4H%2C%28H%2C9%2C10%29

biopax-level3ChemicalStructure145381
structure data: <atom id="CPD1G-1345-atom1" elementType="C" x2="-55401.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom2" elementType="C" x2="-48258.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom3" elementType="C" x2="-41113.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom4" elementType="C" x2="-33968.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom5" elementType="C" x2="-26823.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom6" elementType="C" x2="-19679.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom7" elementType="C" x2="-12535.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom8" elementType="C" x2="-5390.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom9" elementType="C" x2="1754.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom10" elementType="C" x2="8899.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom11" elementType="C" x2="16044.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom12" elementType="C" x2="23188.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom13" elementType="C" x2="30332.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom14" elementType="C" x2="37477.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom15" elementType="C" x2="44622.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom16" elementType="C" x2="51765.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom17" elementType="C" x2="58910.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom18" elementType="C" x2="73200.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom19" elementType="C" x2="80344.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom20" elementType="C" x2="87488.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom21" elementType="C" x2="94633.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom22" elementType="C" x2="101777.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom23" elementType="C" x2="108922.0" y2="-17702.0"/> <atom id="CPD1G-1345-atom24" elementType="C" x2="116067.0" y2="-21827.0"/> <atom id="CPD1G-1345-atom25" elementType="C" x2="166972.0" y2="-21508.0"/> <atom id="CPD1G-1345-atom26" elementType="C" x2="174117.0" y2="-17383.0"/> <atom id="CPD1G-1345-atom27" elementType="C" x2="181261.0" y2="-21508.0"/> …

CHEBI CHEBI:53159
structure data: InChI%3D1S%2FC30H40O2%2Fc1-23%2812-8-9-13-24%282%2915-11-17-26%284%2922-31%2914-10-16-25%283%2918-19-29-27%285%2920-28%2832%2921-30%2829%2C6%297%2Fh8-19%2C22%2C28%2C32H%2C20-21H2%2C1-7H3%2Fb9-8%2B%2C14-10%2B%2C15-11%2B%2C19-18%2B%2C23-12%2B%2C24-13%2B%2C25-16%2B%2C26-17%2B%2Ft28-%2Fm1%2Fs1

CHEBI CHEBI:39505
structure data: InChI%3D1S%2FC12H17N%2Fc13-10-12%288-4-5-9-12%2911-6-2-1-3-7-11%2Fh1-3%2C6-7H%2C4-5%2C8-10%2C13H2

CHEBI CHEBI:64688
structure data: InChI%3D1S%2FC15H22O%2Fc1-10-4-6-13-11%282%295-7-14%2812%283%299-16%2915%2813%298-10%2Fh8-9%2C11%2C13-15H%2C3-7H2%2C1-2H3%2Ft11-%2C13%2B%2C14%2B%2C15%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure144082
structure data: <cml> <molecule id="Keratan-sulfate-NAcGlc" title="[keratan sulfate]-alpha-N-acetyl-D-glucosamine" formalCharge="0" dictRef="dictKeratan-sulfate-NAcGlc"> <atomArray> <atom id="Keratan-sulfate-NAcGlc-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="Keratan-sulfate-NAcGlc-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="Keratan-sulfate-NAcGlc-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="Keratan-sulfate-NAcGlc-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="Keratan-sulfate-NAcGlc-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="Keratan-sulfate-NAcGlc-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="Keratan-sulfate-NAcGlc-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="Keratan-sulfate-NAcGlc-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="Keratan-sulfate-NAcGlc-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="Keratan-sulfate-NAcGlc-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="Keratan-sulfate-NAcGlc-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="Keratan-sulfate-NAcGlc-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="Keratan-sulfate-NAcGlc-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="Keratan-sulfate-NAcGlc-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> <atom id="Keratan-sulfate-NAcGlc-atom15" elementType="C" x2="-12950.0" y2="15852.0"/> <atom id="Keratan-sulfate-NAcGlc-atom16" elementType="O" x2="-20095.0" y2="19977.0"/> <atom id="Keratan-sulfate-NAcGlc-atom17" elementType="C" x2="-5805.0" y2="19977.0"/> </atomArray> <bondArray> <bond id="Keratan-sulfate-NAcGlc-bond1" atomRefs="Keratan-sulfate-NAcGlc-atom1 Keratan-sulfate-NAcGlc-atom2" order="1"/> <bond id="Keratan-sulfate-NAcGlc-bond2" atomRefs="Keratan-sulfate-NAcGlc-atom2 Keratan-sulfate-NAcGlc-atom3" order="1"/> <bond id="Keratan-sulfate-NAcGlc-bond3" atomRefs="Keratan-sulfate-NAcGlc-atom3 Keratan-sulfate-NAcGlc-atom4" order…

CHEBI CHEBI:63065
structure data: InChI%3D1S%2FC40H60O2%2Fc1-33%2821-13-23-35%283%2925-15-27-37%285%2929-17-31-39%287%2C8%2941%2919-11-12-20-34%282%2922-14-24-36%284%2926-16-28-38%286%2930-18-32-40%289%2C10%2942%2Fh11-16%2C19-28%2C41-42H%2C17-18%2C29-32H2%2C1-10H3%2Fb12-11%2B%2C21-13%2B%2C22-14%2B%2C25-15%2B%2C26-16%2B%2C33-19%2B%2C34-20%2B%2C35-23%2B%2C36-24%2B%2C37-27%2B%2C38-28%2B

CHEBI CHEBI:15903
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure169473
structure data: <atom id="CPD-8607-atom1" elementType="C" x2="8883.0" y2="-3417.0"/> <atom id="CPD-8607-atom2" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="CPD-8607-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="CPD-8607-atom4" elementType="C" x2="845.0" y2="0.0"/> <atom id="CPD-8607-atom5" elementType="C" x2="2012.0" y2="0.0"/> <atom id="CPD-8607-atom6" elementType="C" x2="2143.0" y2="-2645.0"/> <atom id="CPD-8607-atom7" elementType="C" x2="4404.0" y2="-3910.0"/> <atom id="CPD-8607-atom8" elementType="O" x2="5134.0" y2="-1059.0"/> <atom id="CPD-8607-atom9" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-8607-atom10" elementType="C" x2="7524.0" y2="-3859.0"/> <atom id="CPD-8607-atom11" elementType="C" x2="6717.0" y2="-3687.0"/> <atom id="CPD-8607-atom12" elementType="C" x2="4404.0" y2="-1444.0"/> <atom id="CPD-8607-atom13" elementType="C" x2="3572.0" y2="-996.0"/> <atom id="CPD-8607-atom14" elementType="C" x2="2889.0" y2="-3089.0"/> <atom id="CPD-8607-atom15" elementType="C" x2="6165.0" y2="-4300.0"/> <atom id="CPD-8607-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-8607-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-8607-atom18" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="CPD-8607-atom19" elementType="C" x2="3603.0" y2="-3502.0"/> <atom id="CPD-8607-atom20" elementType="C" x2="1428.0" y2="-2233.0"/> <atom id="CPD-8607-atom21" elementType="C" x2="5102.0" y2="-2010.0"/> <atom id="CPD-8607-atom22" elementType="C" x2="8076.0" y2="-3246.0"/> <atom id="CPD-8607-atom23" elementType="C" x2="2889.0" y2="-2264.0"/> <atom id="CPD-8607-atom24" elementType="C" x2="3603.0" y2="-1852.0"/> <atom id="CPD-8607-atom25" elementType="C" x2="5358.0" y2="-4129.0"/> <atom id="CPD-8607-atom26" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-8607-atom27" elementType="C" x2="5102.0" y2="-3344.0"/> <atom id="CPD-8607-atom28" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-8607-atom29" elementType="C" x2="1428.0" y2="-583.0"/>…

biopax-level3ChemicalStructure160411
structure data: <atom id="CPD-11440-atom1" elementType="C" x2="-12670.0" y2="9134.0"/> <atom id="CPD-11440-atom2" elementType="C" x2="-19814.0" y2="13259.0"/> <atom id="CPD-11440-atom3" elementType="C" x2="-19814.0" y2="21509.0"/> <atom id="CPD-11440-atom4" elementType="C" x2="-12670.0" y2="25634.0"/> <atom id="CPD-11440-atom5" elementType="C" x2="-5525.0" y2="21509.0"/> <atom id="CPD-11440-atom6" elementType="C" x2="-5525.0" y2="13259.0"/> <atom id="CPD-11440-atom7" elementType="O" x2="-26959.0" y2="25634.0"/> <atom id="CPD-11440-atom8" elementType="O" x2="1620.0" y2="25634.0"/> <atom id="CPD-11440-atom9" elementType="C" x2="1620.0" y2="9134.0"/> <atom id="CPD-11440-atom10" elementType="C" x2="-12670.0" y2="884.0"/> <atom id="CPD-11440-atom11" elementType="C" x2="-5525.0" y2="-3241.0"/> <atom id="CPD-11440-atom12" elementType="C" x2="-5525.0" y2="-11491.0"/> <atom id="CPD-11440-atom13" elementType="C" x2="-5525.0" y2="-27992.0"/> <atom id="CPD-11440-atom14" elementType="C" x2="-12670.0" y2="-23867.0"/> <atom id="CPD-11440-atom15" elementType="C" x2="-12670.0" y2="-15616.0"/> <atom id="CPD-11440-atom16" elementType="C" x2="8764.0" y2="-27992.0"/> <atom id="CPD-11440-atom17" elementType="C" x2="1620.0" y2="-23867.0"/> <atom id="CPD-11440-atom18" elementType="C" x2="1620.0" y2="-15616.0"/> <atom id="CPD-11440-atom19" elementType="C" x2="15909.0" y2="-15617.0"/> <atom id="CPD-11440-atom20" elementType="C" x2="15909.0" y2="-23867.0"/> <atom id="CPD-11440-atom21" elementType="C" x2="1300.0" y2="-32110.0"/> <atom id="CPD-11440-atom22" elementType="C" x2="8764.0" y2="-36242.0"/> <atom id="CPD-11440-atom23" elementType="C" x2="15909.0" y2="-40367.0"/> <atom id="CPD-11440-atom24" elementType="C" x2="1620.0" y2="-40367.0"/> <atom id="CPD-11440-atom25" elementType="C" x2="23310.0" y2="-36721.0"/> <atom id="CPD-11440-atom26" elementType="C" x2="30167.0" y2="-41308.0"/> <atom id="CPD-11440-atom27" elementType="C" x2="37568.0" y2="-37662.0"/> <atom id="CPD-11440-atom28" elementType="C" x2="44426…

biopax-level3ChemicalStructure171927
structure data: <atom id="CPD-8620-atom1" elementType="C" x2="8883.0" y2="-2834.0"/> <atom id="CPD-8620-atom2" elementType="C" x2="7821.0" y2="-1878.0"/> <atom id="CPD-8620-atom3" elementType="C" x2="4806.0" y2="-4159.0"/> <atom id="CPD-8620-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-8620-atom5" elementType="C" x2="4404.0" y2="-3326.0"/> <atom id="CPD-8620-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-8620-atom7" elementType="C" x2="7524.0" y2="-3276.0"/> <atom id="CPD-8620-atom8" elementType="C" x2="6717.0" y2="-3104.0"/> <atom id="CPD-8620-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-8620-atom10" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-8620-atom11" elementType="C" x2="2889.0" y2="-2506.0"/> <atom id="CPD-8620-atom12" elementType="C" x2="6165.0" y2="-3717.0"/> <atom id="CPD-8620-atom13" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-8620-atom14" elementType="C" x2="5102.0" y2="-1427.0"/> <atom id="CPD-8620-atom15" elementType="C" x2="5588.0" y2="-2094.0"/> <atom id="CPD-8620-atom16" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-8620-atom17" elementType="C" x2="3603.0" y2="-2919.0"/> <atom id="CPD-8620-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-8620-atom19" elementType="C" x2="8076.0" y2="-2662.0"/> <atom id="CPD-8620-atom20" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-8620-atom21" elementType="C" x2="3603.0" y2="-1269.0"/> <atom id="CPD-8620-atom22" elementType="C" x2="2889.0" y2="-1681.0"/> <atom id="CPD-8620-atom23" elementType="C" x2="5358.0" y2="-3546.0"/> <atom id="CPD-8620-atom24" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-8620-atom25" elementType="C" x2="4318.0" y2="-1681.0"/> <atom id="CPD-8620-atom26" elementType="C" x2="5102.0" y2="-2761.0"/> <atom id="CPD-8620-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-8620-atom28" elementType="C" x2="4318.0" y2="-2506.0"/> <bond id="CPD-8620-bond1" atomRefs="CPD-8620-atom1 CPD-8620-atom19" o…

CHEBI CHEBI:15867
structure data: InChI%3D1S%2FC5H8O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-4%2C6-8H%2C1H2%2Ft2-%2C3%2B%2C4-%2Fm1%2Fs1

CHEBI CHEBI:55397
structure data: InChI%3D1S%2FC8H20NO6P%2Fc1-9%282%2C3%294-5-14-16%2812%2C13%2915-7-8%2811%296-10%2Fh8%2C10-11H%2C4-7H2%2C1-3H3%2Ft8-%2Fm1%2Fs1

CHEBI CHEBI:17457
structure data: InChI%3D1S%2FC22H30O%2Fc1-18%2810-6-7-17-23%2911-8-12-19%282%2914-15-21-20%283%2913-9-16-22%2821%2C4%295%2Fh6-8%2C10-12%2C14-15%2C17H%2C9%2C13%2C16H2%2C1-5H3%2Fb7-6%2B%2C11-8%2B%2C15-14%2B%2C18-10%2B%2C19-12%2B

CHEBI CHEBI:17737
structure data: InChI%3D1S%2FC27H44O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh7%2C9%2C19%2C21-25%2C28H%2C6%2C8%2C10-17H2%2C1-5H3%2Ft19-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:16135
structure data: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

CHEBI CHEBI:18364
structure data: InChI%3D1S%2FC29H48O%2Fc1-19%282%299-8-10-20%283%2922-12-13-23-21-11-14-25-27%284%2C5%2926%2830%2916-18-29%2825%2C7%2924%2821%2915-17-28%2822%2C23%296%2Fh9%2C20%2C22-23%2C25-26%2C30H%2C8%2C10-18H2%2C1-7H3%2Ft20-%2C22-%2C23%2B%2C25%2B%2C26%2B%2C28-%2C29-%2Fm1%2Fs1

CHEBI CHEBI:10295
structure data: InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:15693
structure data: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2

CHEBI CHEBI:5445
structure data: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2

CHEBI CHEBI:62835
structure data: InChI%3D1S%2FC21H43O7PS%2Fc22-20%2819-28-29%2824%2C25%2926%2918-27-21%2823%2916-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-30%2Fh20%2C22%2C30H%2C1-19H2%2C%28H2%2C24%2C25%2C26%29%2Ft20-%2Fm1%2Fs1

CHEBI CHEBI:16269
structure data: InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3

CHEBI CHEBI:48689
structure data: InChI%3D1S%2FC15H22O%2Fc1-11-7-8-14%2815%2811%2C2%293%2913-6-4-5-12%289-13%2910-16%2Fh6-7%2C10%2C12%2C14H%2C4-5%2C8-9H2%2C1-3H3

CHEBI CHEBI:57409
structure data: InChI%3D1S%2FC20H32O3%2Fc1-2-3-13-16-19%2821%2917-14-11-9-7-5-4-6-8-10-12-15-18-20%2822%2923%2Fh4-5%2C8-11%2C14%2C17%2C19%2C21H%2C2-3%2C6-7%2C12-13%2C15-16%2C18H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb5-4-%2C10-8-%2C11-9-%2C17-14%2B%2Ft19-%2Fm0%2Fs1

biopax-level3ChemicalStructure161542
structure data: <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom1" elementType="C" x2="10018.0" y2="-2191.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom2" elementType="C" x2="3572.0" y2="0.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom3" elementType="O" x2="8589.0" y2="-2163.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom4" elementType="O" x2="2143.0" y2="0.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom5" elementType="O" x2="0.0" y2="-3712.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom6" elementType="O" x2="6374.0" y2="-5833.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom7" elementType="O" x2="5034.0" y2="-860.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom8" elementType="O" x2="3593.0" y2="-1662.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom9" elementType="O" x2="0.0" y2="-1237.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom10" elementType="O" x2="6450.0" y2="-1709.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom11" elementType="O" x2="1429.0" y2="-412.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom12" elementType="O" x2="7867.0" y2="-2561.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom13" elementType="C" x2="0.0" y2="-2887.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom14" elementType="C" x2="6390.0" y2="-5008.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom15" elementType="C" x2="3565.0" y2="-3312.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom16" elementType="N" x2="9279.0" y2="-3414.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom17" elementType="N" x2="2858.0" y2="-1237.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom18" elementType="O" x2="9248.0" y2="-5064.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom19" elementType="O" x2="2858.0" y2="-2887.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-16-ETCETERA-atom20" elementType="O" x2="7819.0" y2…

CHEBI CHEBI:15773
structure data: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

biopax-level3ChemicalStructure143669
structure data: <cml> <molecule id="Mannosyl3-N-acetyl-glucosamine2-R" title="a (mannosyl)3-(N-acetylglucosaminyl)-R" formalCharge="0" dictRef="dictMannosyl3-N-acetyl-glucosamine2-R"> <atomArray> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom1" elementType="O" x2="-121375.0" y2="-41779.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom2" elementType="C" x2="-114231.0" y2="-37654.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom3" elementType="C" x2="-107086.0" y2="-33529.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom4" elementType="O" x2="-99942.0" y2="-37654.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom5" elementType="C" x2="-107086.0" y2="-25279.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom6" elementType="C" x2="-99942.0" y2="-21154.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom7" elementType="C" x2="-92797.0" y2="-25279.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom8" elementType="C" x2="-92797.0" y2="-33529.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom9" elementType="O" x2="-85652.0" y2="-37654.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom10" elementType="C" x2="-77685.0" y2="-35519.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom11" elementType="C" x2="-70540.0" y2="-31394.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom12" elementType="O" x2="-85652.0" y2="-21154.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom13" elementType="O" x2="-99942.0" y2="-12905.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom14" elementType="O" x2="-114231.0" y2="-21154.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom15" elementType="O" x2="-63395.0" y2="-35519.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom16" elementType="C" x2="-70540.0" y2="-23144.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom17" elementType="C" x2="-63395.0" y2="-19019.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom18" elementType="C" x2="-56250.0" y2="-23144.0"/> <atom id="Mannosyl3-N-acetyl-glucosamine2-R-atom19" elementT…

CHEBI CHEBI:16938
structure data: InChI%3D1S%2FC6H11O9P%2Fc7-3-2%281-14-16%2811%2C12%2913%2915-6%2810%295%289%294%283%298%2Fh2-5%2C7-9H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Ft2-%2C3-%2C4%2B%2C5-%2Fm1%2Fs1

CHEBI CHEBI:17034
structure data: InChI%3D1S%2FC18H36O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19%2Fh18H%2C2-17H2%2C1H3

biopax-level3ChemicalStructure145389
structure data: <atom id="CPD1G-768-atom1" elementType="C" x2="14438.0" y2="6805.0"/> <atom id="CPD1G-768-atom2" elementType="O" x2="13724.0" y2="7218.0"/> <atom id="CPD1G-768-atom3" elementType="C" x2="14438.0" y2="5981.0"/> <atom id="CPD1G-768-atom4" elementType="O" x2="13724.0" y2="5568.0"/> <atom id="CPD1G-768-atom5" elementType="C" x2="15153.0" y2="5568.0"/> <atom id="CPD1G-768-atom6" elementType="O" x2="15153.0" y2="4743.0"/> <atom id="CPD1G-768-atom7" elementType="C" x2="15867.0" y2="5981.0"/> <atom id="CPD1G-768-atom8" elementType="O" x2="16581.0" y2="5568.0"/> <atom id="CPD1G-768-atom9" elementType="C" x2="15867.0" y2="6805.0"/> <atom id="CPD1G-768-atom10" elementType="O" x2="15153.0" y2="7218.0"/> <atom id="CPD1G-768-atom11" elementType="C" x2="16581.0" y2="7218.0"/> <atom id="CPD1G-768-atom12" elementType="O" x2="17296.0" y2="6806.0"/> <atom id="CPD1G-768-atom13" elementType="C" x2="13008.0" y2="7630.0"/> <atom id="CPD1G-768-atom14" elementType="C" x2="13008.0" y2="8456.0"/> <atom id="CPD1G-768-atom15" elementType="O" x2="13724.0" y2="8869.0"/> <atom id="CPD1G-768-atom16" elementType="C" x2="12294.0" y2="8869.0"/> <atom id="CPD1G-768-atom17" elementType="O" x2="12294.0" y2="9694.0"/> <atom id="CPD1G-768-atom18" elementType="C" x2="11579.0" y2="8456.0"/> <atom id="CPD1G-768-atom19" elementType="O" x2="10865.0" y2="8869.0"/> <atom id="CPD1G-768-atom20" elementType="C" x2="11579.0" y2="7630.0"/> <atom id="CPD1G-768-atom21" elementType="O" x2="12294.0" y2="7218.0"/> <atom id="CPD1G-768-atom22" elementType="C" x2="10865.0" y2="7218.0"/> <atom id="CPD1G-768-atom23" elementType="O" x2="10150.0" y2="7630.0"/> <atom id="CPD1G-768-atom24" elementType="C" x2="9436.0" y2="7218.0"/> <atom id="CPD1G-768-atom25" elementType="O" x2="9436.0" y2="6393.0"/> <atom id="CPD1G-768-atom26" elementType="C" x2="8721.0" y2="7630.0"/> <atom id="CPD1G-768-atom27" elementType="C" x2="8006.0" y2="7218.0"/> <atom id="CPD1G-768-atom28" elementType="C" x2="7291.0" y2="7630.0"/> <atom id="CPD1G-768-atom29…

CHEBI CHEBI:17836
structure data: InChI%3D1S%2FC7H7NO2%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29%2Fp-1

CHEBI CHEBI:16995
structure data: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

CHEBI CHEBI:4551
structure data: InChI%3D1S%2FC41H64O14%2Fc1-19-36%2847%2928%2842%2915-34%2850-19%2954-38-21%283%2952-35%2817-30%2838%2944%2955-37-20%282%2951-33%2816-29%2837%2943%2953-24-8-10-39%284%2923%2813-24%296-7-26-27%2839%2914-31%2845%2940%285%2925%289-11-41%2826%2C40%2948%2922-12-32%2846%2949-18-22%2Fh12%2C19-21%2C23-31%2C33-38%2C42-45%2C47-48H%2C6-11%2C13-18H2%2C1-5H3%2Ft19-%2C20-%2C21-%2C23-%2C24%2B%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30%2B%2C31-%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure160752
structure data: <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom1" elementType="C" x2="783940.0" y2="-1528730.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom2" elementType="C" x2="712490.0" y2="-1487480.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom3" elementType="C" x2="641040.0" y2="-1528730.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom4" elementType="C" x2="569600.0" y2="-1487480.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom5" elementType="O" x2="783940.0" y2="-1611230.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom6" elementType="O" x2="855380.0" y2="-1487480.0" formalCharge="-1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom7" elementType="O" x2="569600.0" y2="-1404990.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom8" elementType="N" x2="712490.0" y2="-1404990.0" formalCharge="1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom9" elementType="C" x2="586400.0" y2="-1268010.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom10" elementType="O" x2="446180.0" y2="-1224700.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom11" elementType="O" x2="366740.0" y2="-1272410.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom12" elementType="C" x2="214240.0" y2="-1509820.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom13" elementType="N" x2="508490.0" y2="-1363650.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom14" elementType="O" x2="366110.0" y2="-1518470.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom15" elementType="C" x2="508700.0" y2="-1281040.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom16" elementType="C" x2="366530.0" y2="-1355020.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom17" elementType="C" x2="286920.0" y2="-1473650.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom18" elementType="C" x2="428990.0" y2="-1482280.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom19" elementType="C" x2="429200.0" y2="-1399680.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6-atom20" el…

biopax-level3ChemicalStructure152669
structure data: <cml> <molecule id="Ribonucleoside-Triphosphates" title="a ribonucleoside triphosphate" formalCharge="-4" dictRef="dictRibonucleoside-Triphosphates"> <atomArray> <atom id="Ribonucleoside-Triphosphates-atom1" elementType="O" x2="8298.0" y2="-7052.0"/> <atom id="Ribonucleoside-Triphosphates-atom2" elementType="O" x2="41286.0" y2="-7020.0"/> <atom id="Ribonucleoside-Triphosphates-atom3" elementType="O" x2="24798.0" y2="-7052.0"/> <atom id="Ribonucleoside-Triphosphates-atom4" elementType="O" x2="78618.0" y2="0.0"/> <atom id="Ribonucleoside-Triphosphates-atom5" elementType="O" x2="62179.0" y2="-319.0"/> <atom id="Ribonucleoside-Triphosphates-atom6" elementType="O" x2="8284.0" y2="-23552.0" formalCharge="-1"/> <atom id="Ribonucleoside-Triphosphates-atom7" elementType="O" x2="0.0" y2="-15302.0" formalCharge="-1"/> <atom id="Ribonucleoside-Triphosphates-atom8" elementType="O" x2="41470.0" y2="-23517.0" formalCharge="-1"/> <atom id="Ribonucleoside-Triphosphates-atom9" elementType="O" x2="24786.0" y2="-23551.0" formalCharge="-1"/> <atom id="Ribonucleoside-Triphosphates-atom10" elementType="R" x2="85198.0" y2="-17710.0"/> <atom id="Ribonucleoside-Triphosphates-atom11" elementType="C" x2="56761.0" y2="-19112.0"/> <atom id="Ribonucleoside-Triphosphates-atom12" elementType="O" x2="49499.0" y2="-15196.0"/> <atom id="Ribonucleoside-Triphosphates-atom13" elementType="O" x2="70678.0" y2="-20010.0"/> <atom id="Ribonucleoside-Triphosphates-atom14" elementType="O" x2="16500.0" y2="-15302.0"/> <atom id="Ribonucleoside-Triphosphates-atom15" elementType="O" x2="33000.0" y2="-15296.0"/> <atom id="Ribonucleoside-Triphosphates-atom16" elementType="C" x2="74803.0" y2="-7315.0"/> <atom id="Ribonucleoside-Triphosphates-atom17" elementType="C" x2="66553.0" y2="-7315.0"/> <atom id="Ribonucleoside-Triphosphates-atom18" elementType="C" x2="77352.0" y2="-15161.0"/> <atom id="Ribonucleoside-Triphosphates-atom19" elementType="C" x2="64003.0" y2="-15161.0"/> <atom id="Ribonucleoside-Triphosphates-atom20…

CHEBI CHEBI:27997
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fb10-9%2B

CHEBI CHEBI:8113
structure data: InChI%3D1S%2FC21H24O10%2Fc22-9-16-18%2827%2919%2828%2920%2829%2921%2831-16%2930-15-8-12%2824%297-14%2826%2917%2815%2913%2825%296-3-10-1-4-11%2823%295-2-10%2Fh1-2%2C4-5%2C7-8%2C16%2C18-24%2C26-29H%2C3%2C6%2C9H2%2Ft16-%2C18-%2C19%2B%2C20-%2C21-%2Fm1%2Fs1

CHEBI CHEBI:18019
structure data: InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1

biopax-level3ChemicalStructure143107
structure data: <atom id="HYALURONATE-atom1" elementType="C" x2="65995.0" y2="-42762.0"/> <atom id="HYALURONATE-atom2" elementType="C" x2="35196.0" y2="0.0"/> <atom id="HYALURONATE-atom3" elementType="O" x2="20763.0" y2="-688.0"/> <atom id="HYALURONATE-atom4" elementType="O" x2="22412.0" y2="-41800.0"/> <atom id="HYALURONATE-atom5" elementType="O" x2="688.0" y2="-39049.0"/> <atom id="HYALURONATE-atom6" elementType="O" x2="29697.0" y2="-54173.0" formalCharge="-1"/> <atom id="HYALURONATE-atom7" elementType="O" x2="0.0" y2="-14302.0"/> <atom id="HYALURONATE-atom8" elementType="O" x2="58158.0" y2="-29148.0"/> <atom id="HYALURONATE-atom9" elementType="O" x2="14298.0" y2="-5228.0"/> <atom id="HYALURONATE-atom10" elementType="O" x2="43860.0" y2="-20902.0"/> <atom id="HYALURONATE-atom11" elementType="C" x2="823.0" y2="-30798.0"/> <atom id="HYALURONATE-atom12" elementType="N" x2="28600.0" y2="-12787.0"/> <atom id="HYALURONATE-atom13" elementType="O" x2="58297.0" y2="-45649.0"/> <atom id="HYALURONATE-atom14" elementType="O" x2="15125.0" y2="-30110.0"/> <atom id="HYALURONATE-atom15" elementType="O" x2="43998.0" y2="-45787.0"/> <atom id="HYALURONATE-atom16" elementType="O" x2="29562.0" y2="-29287.0"/> <atom id="HYALURONATE-atom17" elementType="C" x2="28600.0" y2="-4540.0"/> <atom id="HYALURONATE-atom18" elementType="C" x2="29697.0" y2="-45923.0"/> <atom id="HYALURONATE-atom19" elementType="C" x2="7837.0" y2="-26261.0"/> <atom id="HYALURONATE-atom20" elementType="C" x2="7837.0" y2="-18011.0"/> <atom id="HYALURONATE-atom21" elementType="C" x2="51148.0" y2="-33275.0"/> <atom id="HYALURONATE-atom22" elementType="C" x2="14298.0" y2="-13475.0"/> <atom id="HYALURONATE-atom23" elementType="C" x2="43860.0" y2="-29287.0"/> <atom id="HYALURONATE-atom24" elementType="C" x2="51148.0" y2="-41525.0"/> <atom id="HYALURONATE-atom25" elementType="C" x2="22135.0" y2="-25574.0"/> <atom id="HYALURONATE-atom26" elementType="C" x2="22135.0" y2="-17327.0"/> <atom id="HYALURONATE-atom27" elementType="C" x2="36710.0" y…

CHEBI CHEBI:4640
structure data: InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H

CHEBI CHEBI:27905
structure data: InChI%3D1S%2FC6H6O4S%2Fc7-11%288%2C9%2910-6-4-2-1-3-5-6%2Fh1-5H%2C%28H%2C7%2C8%2C9%29

CHEBI CHEBI:16797
structure data: InChI%3D1S%2FC7H8N2O%2Fc1-9-4-2-3-6%285-9%297%288%2910%2Fh2-5H%2C1H3%2C%28H-%2C8%2C10%29%2Fp%2B1

CHEBI CHEBI:15368
structure data: InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2

biopax-level3ChemicalStructure162431
structure data: <atom id="CPD-569-atom1" elementType="C" x2="-5458.0" y2="20468.0"/> <atom id="CPD-569-atom2" elementType="C" x2="1687.0" y2="16343.0"/> <atom id="CPD-569-atom3" elementType="N" x2="8831.0" y2="20468.0"/> <atom id="CPD-569-atom4" elementType="C" x2="15976.0" y2="16343.0"/> <atom id="CPD-569-atom5" elementType="C" x2="23121.0" y2="20468.0"/> <atom id="CPD-569-atom6" elementType="C" x2="30266.0" y2="16343.0"/> <atom id="CPD-569-atom7" elementType="C" x2="37410.0" y2="20468.0"/> <atom id="CPD-569-atom8" elementType="N" x2="44555.0" y2="16343.0"/> <atom id="CPD-569-atom9" elementType="O" x2="1687.0" y2="8093.0"/> <bond id="CPD-569-bond1" atomRefs="CPD-569-atom1 CPD-569-atom2" order="1"/> <bond id="CPD-569-bond2" atomRefs="CPD-569-atom2 CPD-569-atom3" order="1"/> <bond id="CPD-569-bond3" atomRefs="CPD-569-atom3 CPD-569-atom4" order="1"/> <bond id="CPD-569-bond4" atomRefs="CPD-569-atom4 CPD-569-atom5" order="1"/> <bond id="CPD-569-bond5" atomRefs="CPD-569-atom5 CPD-569-atom6" order="1"/> <bond id="CPD-569-bond6" atomRefs="CPD-569-atom6 CPD-569-atom7" order="1"/> <bond id="CPD-569-bond7" atomRefs="CPD-569-atom7 CPD-569-atom8" order="1"/> <bond id="CPD-569-bond8" atomRefs="CPD-569-atom2 CPD-569-atom9" order="2"/> <formula concise="H 14 O 1 N 2 C 6"/> 130.189 CC(=O)NCCCCN

biopax-level3ChemicalStructure133998
structure data: <atom id="CPD66-29-atom1" elementType="C" x2="379350.0" y2="12930.0"/> <atom id="CPD66-29-atom2" elementType="C" x2="450800.0" y2="-28320.0"/> <atom id="CPD66-29-atom3" elementType="C" x2="379350.0" y2="95430.0"/> <atom id="CPD66-29-atom4" elementType="C" x2="307890.0" y2="-28320.0"/> <atom id="CPD66-29-atom5" elementType="C" x2="522230.0" y2="12930.0"/> <atom id="CPD66-29-atom6" elementType="C" x2="450800.0" y2="-110840.0"/> <atom id="CPD66-29-atom7" elementType="C" x2="450800.0" y2="136680.0"/> <atom id="CPD66-29-atom8" elementType="C" x2="307900.0" y2="136680.0"/> <atom id="CPD66-29-atom9" elementType="C" x2="236450.0" y2="12930.0"/> <atom id="CPD66-29-atom10" elementType="C" x2="593680.0" y2="-28320.0"/> <atom id="CPD66-29-atom11" elementType="C" x2="522230.0" y2="95430.0"/> <atom id="CPD66-29-atom12" elementType="C" x2="522230.0" y2="-152090.0"/> <atom id="CPD66-29-atom13" elementType="C" x2="236450.0" y2="95430.0"/> <atom id="CPD66-29-atom14" elementType="C" x2="593680.0" y2="-110840.0"/> <atom id="CPD66-29-atom15" elementType="C" x2="672150.0" y2="-2830.0"/> <atom id="CPD66-29-atom16" elementType="O" x2="165000.0" y2="136680.0"/> <atom id="CPD66-29-atom17" elementType="C" x2="593680.0" y2="-193330.0"/> <atom id="CPD66-29-atom18" elementType="C" x2="672150.0" y2="-136330.0"/> <atom id="CPD66-29-atom19" elementType="C" x2="720650.0" y2="-69580.0"/> <atom id="CPD66-29-atom20" elementType="O" x2="697640.0" y2="-214780.0"/> <atom id="CPD66-29-atom21" elementType="C" x2="379680.0" y2="-68070.0"/> <atom id="CPD66-29-atom22" elementType="H" x2="449950.0" y2="46140.0"/> <atom id="CPD66-29-atom23" elementType="H" x2="524720.0" y2="-67090.0"/> <atom id="CPD66-29-atom24" elementType="H" x2="596160.0" y2="45030.0"/> <bond id="CPD66-29-bond1" atomRefs="CPD66-29-atom1 CPD66-29-atom2" order="1"/> <bond id="CPD66-29-bond2" atomRefs="CPD66-29-atom1 CPD66-29-atom3" order="1"/> <bond id="CPD66-29-bond3" atomRefs="CPD66-29-atom1 CPD66-29-atom4" order="1"/> <bond id="CPD66-29-bond…

biopax-level3ChemicalStructure144455
structure data: <cml> <molecule id="N-Acylethanolamines" title="an N-acylethanolamine" formalCharge="0" dictRef="dictN-Acylethanolamines"> <atomArray> <atom id="N-Acylethanolamines-atom1" elementType="R" x2="-78080.0" y2="5598.0"/> <atom id="N-Acylethanolamines-atom2" elementType="C" x2="-70936.0" y2="1473.0"/> <atom id="N-Acylethanolamines-atom3" elementType="N" x2="-63791.0" y2="5598.0"/> <atom id="N-Acylethanolamines-atom4" elementType="C" x2="-56646.0" y2="1473.0"/> <atom id="N-Acylethanolamines-atom5" elementType="C" x2="-49502.0" y2="5598.0"/> <atom id="N-Acylethanolamines-atom6" elementType="O" x2="-42357.0" y2="1473.0"/> <atom id="N-Acylethanolamines-atom7" elementType="O" x2="-70936.0" y2="-6777.0"/> </atomArray> <bondArray> <bond id="N-Acylethanolamines-bond1" atomRefs="N-Acylethanolamines-atom1 N-Acylethanolamines-atom2" order="1"/> <bond id="N-Acylethanolamines-bond2" atomRefs="N-Acylethanolamines-atom2 N-Acylethanolamines-atom3" order="1"/> <bond id="N-Acylethanolamines-bond3" atomRefs="N-Acylethanolamines-atom3 N-Acylethanolamines-atom4" order="1"/> <bond id="N-Acylethanolamines-bond4" atomRefs="N-Acylethanolamines-atom4 N-Acylethanolamines-atom5" order="1"/> <bond id="N-Acylethanolamines-bond5" atomRefs="N-Acylethanolamines-atom5 N-Acylethanolamines-atom6" order="1"/> <bond id="N-Acylethanolamines-bond6" atomRefs="N-Acylethanolamines-atom2 N-Acylethanolamines-atom7" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)(NCCO)[R]</string> </molecule> </cml>

CHEBI CHEBI:29294
structure data: InChI%3D1S%2FH2%2Fh1H%2Fi1%2B1D

CHEBI CHEBI:47499
structure data: InChI%3D1S%2FC19H24N2%2Fc1-20%282%2914-7-15-21-18-10-5-3-8-16%2818%2912-13-17-9-4-6-11-19%2817%2921%2Fh3-6%2C8-11H%2C7%2C12-15H2%2C1-2H3

CHEBI CHEBI:31742
structure data: InChI%3D1S%2FC21H20O11%2Fc22-7-13-15%2826%2917%2828%2918%2829%2921%2831-13%2932-20-16%2827%2914-11%2825%295-10%2824%296-12%2814%2930-19%2820%298-1-3-9%2823%294-2-8%2Fh1-6%2C13%2C15%2C17-18%2C21-26%2C28-29H%2C7H2%2Ft13-%2C15%2B%2C17%2B%2C18-%2C21%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure174576
structure data: <atom id="CPD-11405-atom1" elementType="C" x2="-31524.0" y2="-14438.0"/> <atom id="CPD-11405-atom2" elementType="C" x2="-38668.0" y2="-10313.0"/> <atom id="CPD-11405-atom3" elementType="C" x2="-38668.0" y2="-2062.0"/> <atom id="CPD-11405-atom4" elementType="C" x2="-31524.0" y2="2063.0"/> <atom id="CPD-11405-atom5" elementType="C" x2="-24379.0" y2="-2062.0"/> <atom id="CPD-11405-atom6" elementType="C" x2="-24379.0" y2="-10313.0"/> <atom id="CPD-11405-atom7" elementType="O" x2="-45813.0" y2="2063.0"/> <atom id="CPD-11405-atom8" elementType="O" x2="-17234.0" y2="-14438.0"/> <atom id="CPD-11405-atom9" elementType="C" x2="-9742.0" y2="-10991.0"/> <atom id="CPD-11405-atom10" elementType="C" x2="-2597.0" y2="-15116.0"/> <atom id="CPD-11405-atom11" elementType="C" x2="-9742.0" y2="-2741.0"/> <atom id="CPD-11405-atom12" elementType="C" x2="-2597.0" y2="1384.0"/> <atom id="CPD-11405-atom13" elementType="C" x2="4548.0" y2="-2741.0"/> <atom id="CPD-11405-atom14" elementType="C" x2="4548.0" y2="-10991.0"/> <atom id="CPD-11405-atom15" elementType="I" x2="-16884.0" y2="1384.0"/> <atom id="CPD-11405-atom16" elementType="C" x2="11692.0" y2="1384.0"/> <atom id="CPD-11405-atom17" elementType="C" x2="18834.0" y2="-2741.0"/> <atom id="CPD-11405-atom18" elementType="N" x2="25979.0" y2="1384.0" formalCharge="1"/> <bond id="CPD-11405-bond1" atomRefs="CPD-11405-atom1 CPD-11405-atom2" order="2"/> <bond id="CPD-11405-bond2" atomRefs="CPD-11405-atom2 CPD-11405-atom3" order="1"/> <bond id="CPD-11405-bond3" atomRefs="CPD-11405-atom3 CPD-11405-atom4" order="2"/> <bond id="CPD-11405-bond4" atomRefs="CPD-11405-atom4 CPD-11405-atom5" order="1"/> <bond id="CPD-11405-bond5" atomRefs="CPD-11405-atom5 CPD-11405-atom6" order="2"/> <bond id="CPD-11405-bond6" atomRefs="CPD-11405-atom1 CPD-11405-atom6" order="1"/> <bond id="CPD-11405-bond7" atomRefs="CPD-11405-atom3 CPD-11405-atom7" order="1"/> <bond id="CPD-11405-bond8" atomRefs="CPD-11405-atom6 CPD-11405-atom8" order="1"/> <bond id="CPD-11405-bond9" atomR…

biopax-level3ChemicalStructure135538
structure data: <atom id="UDP-MANNAC-atom1" elementType="C" x2="213470.0" y2="0.0"/> <atom id="UDP-MANNAC-atom2" elementType="O" x2="355310.0" y2="0.0"/> <atom id="UDP-MANNAC-atom3" elementType="O" x2="906120.0" y2="-598120.0"/> <atom id="UDP-MANNAC-atom4" elementType="O" x2="764340.0" y2="-352020.0"/> <atom id="UDP-MANNAC-atom5" elementType="O" x2="531320.0" y2="-405800.0"/> <atom id="UDP-MANNAC-atom6" elementType="O" x2="368330.0" y2="-405800.0"/> <atom id="UDP-MANNAC-atom7" elementType="O" x2="1620.0" y2="-405800.0"/> <atom id="UDP-MANNAC-atom8" elementType="O" x2="0.0" y2="-159700.0"/> <atom id="UDP-MANNAC-atom9" elementType="O" x2="687740.0" y2="-74980.0"/> <atom id="UDP-MANNAC-atom10" elementType="O" x2="141780.0" y2="-76600.0"/> <atom id="UDP-MANNAC-atom11" elementType="O" x2="865420.0" y2="-74980.0"/> <atom id="UDP-MANNAC-atom12" elementType="O" x2="531320.0" y2="-242810.0" formalCharge="-1"/> <atom id="UDP-MANNAC-atom13" elementType="O" x2="368330.0" y2="-242810.0" formalCharge="-1"/> <atom id="UDP-MANNAC-atom14" elementType="C" x2="977870.0" y2="-475880.0"/> <atom id="UDP-MANNAC-atom15" elementType="C" x2="977870.0" y2="-392770.0"/> <atom id="UDP-MANNAC-atom16" elementType="C" x2="1620.0" y2="-324300.0"/> <atom id="UDP-MANNAC-atom17" elementType="C" x2="630740.0" y2="-244480.0"/> <atom id="UDP-MANNAC-atom18" elementType="N" x2="275010.0" y2="-140760.0"/> <atom id="UDP-MANNAC-atom19" elementType="O" x2="612760.0" y2="-324300.0"/> <atom id="UDP-MANNAC-atom20" elementType="O" x2="143390.0" y2="-324300.0"/> <atom id="UDP-MANNAC-atom21" elementType="O" x2="774130.0" y2="-267300.0"/> <atom id="UDP-MANNAC-atom22" elementType="O" x2="285220.0" y2="-324300.0"/> <atom id="UDP-MANNAC-atom23" elementType="O" x2="449820.0" y2="-324300.0"/> <atom id="UDP-MANNAC-atom24" elementType="C" x2="285220.0" y2="-40750.0"/> <atom id="UDP-MANNAC-atom25" elementType="C" x2="906120.0" y2="-516620.0"/> <atom id="UDP-MANNAC-atom26" elementType="C" x2="834420.0" y2="-392770.0"/> <atom id="UDP-MANNAC-a…

CHEBI CHEBI:27561
structure data: InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2

CHEBI CHEBI:29019
structure data: InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29

biopax-level3ChemicalStructure147122
structure data: <atom id="D-myo-inositol-pentakisphosphates-atom1" elementType="O" x2="-16725.0" y2="8751.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom2" elementType="P" x2="-24486.0" y2="5597.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom3" elementType="O" x2="-28034.0" y2="13088.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom4" elementType="O" x2="-21722.0" y2="-2181.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom5" elementType="O" x2="-31900.0" y2="1446.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom6" elementType="O" x2="-16428.0" y2="-9101.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom7" elementType="P" x2="-21275.0" y2="-15868.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom8" elementType="O" x2="-28761.0" y2="-12473.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom9" elementType="O" x2="-13728.0" y2="-19359.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom10" elementType="O" x2="-23926.0" y2="-23663.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom11" elementType="O" x2="-2033.0" y2="-17444.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom12" elementType="P" x2="458.0" y2="-25578.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom13" elementType="O" x2="-6871.0" y2="-29448.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom14" elementType="O" x2="7716.0" y2="-21668.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom15" elementType="O" x2="5174.0" y2="-32605.0" formalCharge="-1"/> <atom id="D-myo-inositol-pentakisphosphates-atom16" elementType="O" x2="12499.0" y2="-9388.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom17" elementType="O" x2="12201.0" y2="7704.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom18" elementType="P" x2="15269.0" y2="15132.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom19" elementType="O" x2="23528.0" y2="14901.0"/> <atom id="D-myo-inositol-pentakisphosphates-atom20" elementType="O…

CHEBI CHEBI:58247
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-3-2%281-14-16%2811%2C12%2913%2915-6%2810%295%289%294%283%298%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1

CHEBI CHEBI:36215
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-11%2813%299-10-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29%2Ft11-%2Fm0%2Fs1

CHEBI CHEBI:16891
structure data: InChI%3D1S%2FC2H2O3%2Fc3-1-2%284%295%2Fh1H%2C%28H%2C4%2C5%29

biopax-level3ChemicalStructure134064
structure data: <atom id="ZYMOSTEROL-atom1" elementType="C" x2="7821.0" y2="-1878.0"/> <atom id="ZYMOSTEROL-atom2" elementType="C" x2="8883.0" y2="-2834.0"/> <atom id="ZYMOSTEROL-atom3" elementType="C" x2="4806.0" y2="-4159.0"/> <atom id="ZYMOSTEROL-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="ZYMOSTEROL-atom5" elementType="C" x2="4404.0" y2="-3326.0"/> <atom id="ZYMOSTEROL-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="ZYMOSTEROL-atom7" elementType="C" x2="7524.0" y2="-3276.0"/> <atom id="ZYMOSTEROL-atom8" elementType="C" x2="6717.0" y2="-3104.0"/> <atom id="ZYMOSTEROL-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="ZYMOSTEROL-atom10" elementType="C" x2="2889.0" y2="-2506.0"/> <atom id="ZYMOSTEROL-atom11" elementType="C" x2="6165.0" y2="-3717.0"/> <atom id="ZYMOSTEROL-atom12" elementType="C" x2="2858.0" y2="0.0"/> <atom id="ZYMOSTEROL-atom13" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="ZYMOSTEROL-atom14" elementType="C" x2="5102.0" y2="-1427.0"/> <atom id="ZYMOSTEROL-atom15" elementType="C" x2="5588.0" y2="-2094.0"/> <atom id="ZYMOSTEROL-atom16" elementType="C" x2="3603.0" y2="-2919.0"/> <atom id="ZYMOSTEROL-atom17" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="ZYMOSTEROL-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="ZYMOSTEROL-atom19" elementType="C" x2="8076.0" y2="-2662.0"/> <atom id="ZYMOSTEROL-atom20" elementType="C" x2="3603.0" y2="-1269.0"/> <atom id="ZYMOSTEROL-atom21" elementType="C" x2="2889.0" y2="-1681.0"/> <atom id="ZYMOSTEROL-atom22" elementType="C" x2="714.0" y2="-412.0"/> <atom id="ZYMOSTEROL-atom23" elementType="C" x2="5358.0" y2="-3546.0"/> <atom id="ZYMOSTEROL-atom24" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="ZYMOSTEROL-atom25" elementType="C" x2="4318.0" y2="-1681.0"/> <atom id="ZYMOSTEROL-atom26" elementType="C" x2="5102.0" y2="-2761.0"/> <atom id="ZYMOSTEROL-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="ZYMOSTEROL-atom28" elementType="C" x2="4318.0" y2="-2506.0"/> <bond id="ZYM…

CHEBI CHEBI:15383
structure data: InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm1%2Fs1

CHEBI CHEBI:10702
structure data: InChI%3D1S%2FC6H8O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-8H%2Ft5-%2C6-%2Fm1%2Fs1

CHEBI CHEBI:60256
structure data: InChI%3D1S%2FC42H85NO6%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39%2846%2941%2848%2942%2849%2943-37%2836-44%2940%2847%2938%2845%2934-32-30-28-26-24-16-14-12-10-8-6-4-2%2Fh37-41%2C44-48H%2C3-36H2%2C1-2H3%2C%28H%2C43%2C49%29%2Ft37-%2C38%2B%2C39%2B%2C40-%2C41-%2Fm0%2Fs1

CHEBI CHEBI:24636
structure data: InChI%3D1S%2Fp%2B1%2Fi%2FhH

CHEBI CHEBI:63658
structure data: InChI%3D1S%2FC20H30O%2Fc1-5-18%282%2912-9-16-15%2813-18%297-8-17-19%283%2C14-21%2910-6-11-20%2816%2C17%294%2Fh5%2C7%2C14%2C16-17H%2C1%2C6%2C8-13H2%2C2-4H3%2Ft16-%2C17%2B%2C18-%2C19-%2C20-%2Fm1%2Fs1

biopax-level3ChemicalStructure156405
structure data: <atom id="DEOXYGUANOSINE-atom1" elementType="C" x2="391.0" y2="-5480.0"/> <atom id="DEOXYGUANOSINE-atom2" elementType="C" x2="16733.0" y2="-26811.0"/> <atom id="DEOXYGUANOSINE-atom3" elementType="C" x2="-13308.0" y2="-5382.0"/> <atom id="DEOXYGUANOSINE-atom4" elementType="C" x2="-19962.0" y2="-1565.0"/> <atom id="DEOXYGUANOSINE-atom5" elementType="N" x2="-26811.0" y2="-5382.0"/> <atom id="DEOXYGUANOSINE-atom6" elementType="C" x2="-13308.0" y2="-13210.0"/> <atom id="DEOXYGUANOSINE-atom7" elementType="C" x2="-26811.0" y2="-13014.0"/> <atom id="DEOXYGUANOSINE-atom8" elementType="O" x2="20451.0" y2="-34248.0"/> <atom id="DEOXYGUANOSINE-atom9" elementType="C" x2="8513.0" y2="-25539.0"/> <atom id="DEOXYGUANOSINE-atom10" elementType="N" x2="-34248.0" y2="-17026.0"/> <atom id="DEOXYGUANOSINE-atom11" elementType="N" x2="391.0" y2="-13210.0"/> <atom id="DEOXYGUANOSINE-atom12" elementType="O" x2="-19962.0" y2="6752.0"/> <atom id="DEOXYGUANOSINE-atom13" elementType="C" x2="20549.0" y2="-19081.0"/> <atom id="DEOXYGUANOSINE-atom14" elementType="O" x2="34150.0" y2="-23191.0"/> <atom id="DEOXYGUANOSINE-atom15" elementType="N" x2="-6360.0" y2="-1663.0"/> <atom id="DEOXYGUANOSINE-atom16" elementType="C" x2="7339.0" y2="-17124.0"/> <atom id="DEOXYGUANOSINE-atom17" elementType="N" x2="-20059.0" y2="-16928.0"/> <atom id="DEOXYGUANOSINE-atom18" elementType="C" x2="28573.0" y2="-17124.0"/> <atom id="DEOXYGUANOSINE-atom19" elementType="O" x2="14482.0" y2="-13601.0"/> <bond id="DEOXYGUANOSINE-bond1" atomRefs="DEOXYGUANOSINE-atom19 DEOXYGUANOSINE-atom16" order="1"/> <bond id="DEOXYGUANOSINE-bond2" atomRefs="DEOXYGUANOSINE-atom18 DEOXYGUANOSINE-atom13" order="1"/> <bond id="DEOXYGUANOSINE-bond3" atomRefs="DEOXYGUANOSINE-atom17 DEOXYGUANOSINE-atom7" order="2"/> <bond id="DEOXYGUANOSINE-bond4" atomRefs="DEOXYGUANOSINE-atom16 DEOXYGUANOSINE-atom11" order="1"/> <bond id="DEOXYGUANOSINE-bond5" atomRefs="DEOXYGUANOSINE-atom15 DEOXYGUANOSINE-atom1" order="2"/> <bond id="DEOXYGUANOSINE-bond6" atomRef…

CHEBI CHEBI:4208
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5%2B%2C6%3F%2Fm1%2Fs1

biopax-level3ChemicalStructure133938
structure data: <cml> <molecule id="3-oxo-D5-steroids" title="a 3-oxo-delta5-steroid" formalCharge="0" dictRef="dict3-oxo-D5-steroids"> <atomArray> <atom id="3-oxo-D5-steroids-atom1" elementType="C" x2="3637.0" y2="-3500.0"/> <atom id="3-oxo-D5-steroids-atom2" elementType="C" x2="7275.0" y2="-5600.0"/> <atom id="3-oxo-D5-steroids-atom3" elementType="O" x2="0.0" y2="0.0"/> <atom id="3-oxo-D5-steroids-atom4" elementType="R" x2="9039.0" y2="-5964.0"/> <atom id="3-oxo-D5-steroids-atom5" elementType="C" x2="4850.0" y2="0.0"/> <atom id="3-oxo-D5-steroids-atom6" elementType="C" x2="6062.0" y2="-700.0"/> <atom id="3-oxo-D5-steroids-atom7" elementType="C" x2="1212.0" y2="-2100.0"/> <atom id="3-oxo-D5-steroids-atom8" elementType="C" x2="2425.0" y2="0.0"/> <atom id="3-oxo-D5-steroids-atom9" elementType="C" x2="9429.0" y2="-3500.0"/> <atom id="3-oxo-D5-steroids-atom10" elementType="C" x2="8606.0" y2="-2367.0"/> <atom id="3-oxo-D5-steroids-atom11" elementType="C" x2="4850.0" y2="-4200.0"/> <atom id="3-oxo-D5-steroids-atom12" elementType="C" x2="2425.0" y2="-2800.0"/> <atom id="3-oxo-D5-steroids-atom13" elementType="C" x2="6062.0" y2="-4900.0"/> <atom id="3-oxo-D5-steroids-atom14" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="3-oxo-D5-steroids-atom15" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="3-oxo-D5-steroids-atom16" elementType="C" x2="8606.0" y2="-4633.0"/> <atom id="3-oxo-D5-steroids-atom17" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="3-oxo-D5-steroids-atom18" elementType="C" x2="4850.0" y2="-2800.0"/> <atom id="3-oxo-D5-steroids-atom19" elementType="C" x2="7275.0" y2="-2800.0"/> <atom id="3-oxo-D5-steroids-atom20" elementType="C" x2="3637.0" y2="-2100.0"/> <atom id="3-oxo-D5-steroids-atom21" elementType="C" x2="7275.0" y2="-4200.0"/> </atomArray> <bondArray> <bond id="3-oxo-D5-steroids-bond1" atomRefs="3-oxo-D5-steroids-atom19 3-oxo-D5-steroids-atom21" order="1"/> <bond id="3-oxo-D5-steroids-bond2" atomRefs="3-oxo-D5-steroids-atom18 3-oxo-D5-steroids-atom20" order="…

CHEBI CHEBI:4470
structure data: InChI%3D1S%2FC18H25NO%2Fc1-19-10-9-18-8-4-3-5-15%2818%2917%2819%2911-13-6-7-14%2820-2%2912-16%2813%2918%2Fh6-7%2C12%2C15%2C17H%2C3-5%2C8-11H2%2C1-2H3%2Ft15-%2C17%2B%2C18%2B%2Fm0%2Fs1

CHEBI CHEBI:28694
structure data: InChI%3D1S%2FCu

biopax-level3ChemicalStructure163939
structure data: <atom id="CPD-9898-atom1" elementType="C" x2="2.48676e+8" y2="-3.7124e+7"/> <atom id="CPD-9898-atom2" elementType="C" x2="6.2921e+7" y2="-3.7124e+7"/> <atom id="CPD-9898-atom3" elementType="C" x2="9.15e+7" y2="-3.7124e+7"/> <atom id="CPD-9898-atom4" elementType="C" x2="1.20076e+8" y2="-3.7124e+7"/> <atom id="CPD-9898-atom5" elementType="C" x2="1.48654e+8" y2="-3.7124e+7"/> <atom id="CPD-9898-atom6" elementType="C" x2="1.77232e+8" y2="-3.7125e+7"/> <atom id="CPD-9898-atom7" elementType="C" x2="2.0580798e+8" y2="-3.7124e+7"/> <atom id="CPD-9898-atom8" elementType="O" x2="2.2724301e+8" y2="0.0"/> <atom id="CPD-9898-atom9" elementType="O" x2="2.4153099e+8" y2="-1000.0" formalCharge="-1"/> <atom id="CPD-9898-atom10" elementType="O" x2="2.3438699e+8" y2="-3.7124e+7"/> <atom id="CPD-9898-atom11" elementType="C" x2="7.0064e+7" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom12" elementType="C" x2="9.8643e+7" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom13" elementType="C" x2="1.27221e+8" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom14" elementType="C" x2="1.5579899e+8" y2="-2.4749e+7"/> <atom id="CPD-9898-atom15" elementType="C" x2="1.8437598e+8" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom16" elementType="C" x2="2.1295299e+8" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom17" elementType="C" x2="2.2724301e+8" y2="-1.65e+7"/> <atom id="CPD-9898-atom18" elementType="C" x2="2.4153e+8" y2="-1.65e+7"/> <atom id="CPD-9898-atom19" elementType="C" x2="7.721e+7" y2="-2.8873e+7"/> <atom id="CPD-9898-atom20" elementType="C" x2="1.05787e+8" y2="-2.8873e+7"/> <atom id="CPD-9898-atom21" elementType="C" x2="1.34364e+8" y2="-2.8873e+7"/> <atom id="CPD-9898-atom22" elementType="C" x2="1.62944e+8" y2="-2.8873e+7"/> <atom id="CPD-9898-atom23" elementType="C" x2="1.9152099e+8" y2="-2.8874e+7"/> <atom id="CPD-9898-atom24" elementType="C" x2="2.20098e+8" y2="-2.8873e+7"/> <atom id="CPD-9898-atom25" elementType="C" x2="8.4355e+7" y2="-2.4748002e+7"/> <atom id="CPD-9898-atom26" elementType="C" x2="1.12931…

CHEBI CHEBI:59188
structure data: InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3%2Ft23-%2Fm0%2Fs1

biopax-level3ChemicalStructure156492
structure data: <cml> <molecule id="CPD-502" title="ceramide 1-phosphate" formalCharge="-2" dictRef="dictCPD-502"> <atomArray> <atom id="CPD-502-atom1" elementType="C" x2="-17340.0" y2="7830.0"/> <atom id="CPD-502-atom2" elementType="C" x2="-10181.0" y2="11955.0"/> <atom id="CPD-502-atom3" elementType="C" x2="-3040.0" y2="7822.0"/> <atom id="CPD-502-atom4" elementType="C" x2="4109.0" y2="11941.0"/> <atom id="CPD-502-atom5" elementType="C" x2="11249.0" y2="7808.0"/> <atom id="CPD-502-atom6" elementType="C" x2="18399.0" y2="11925.0"/> <atom id="CPD-502-atom7" elementType="C" x2="25539.0" y2="7793.0"/> <atom id="CPD-502-atom8" elementType="C" x2="32688.0" y2="11910.0"/> <atom id="CPD-502-atom9" elementType="C" x2="39828.0" y2="7777.0"/> <atom id="CPD-502-atom10" elementType="C" x2="46977.0" y2="11894.0"/> <atom id="CPD-502-atom11" elementType="C" x2="54119.0" y2="7762.0"/> <atom id="CPD-502-atom12" elementType="C" x2="61268.0" y2="11879.0"/> <atom id="CPD-502-atom13" elementType="C" x2="68408.0" y2="7746.0"/> <atom id="CPD-502-atom14" elementType="C" x2="82318.0" y2="24659.0"/> <atom id="CPD-502-atom15" elementType="O" x2="89462.0" y2="20534.0"/> <atom id="CPD-502-atom16" elementType="C" x2="75172.0" y2="20534.0"/> <atom id="CPD-502-atom17" elementType="C" x2="82318.0" y2="32909.0"/> <atom id="CPD-502-atom18" elementType="N" x2="72284.0" y2="37722.0"/> <atom id="CPD-502-atom19" elementType="C" x2="65140.0" y2="33597.0"/> <atom id="CPD-502-atom20" elementType="O" x2="65140.0" y2="25347.0"/> <atom id="CPD-502-atom21" elementType="R" x2="57995.0" y2="37722.0"/> <atom id="CPD-502-atom22" elementType="C" x2="75163.0" y2="12284.0"/> <atom id="CPD-502-atom23" elementType="C" x2="89462.0" y2="37034.0"/> <atom id="CPD-502-atom24" elementType="O" x2="89462.0" y2="45284.0"/> <atom id="CPD-502-atom25" elementType="P" x2="89423.0" y2="53488.0"/> <atom id="CPD-502-atom26" elementType="O" x2="89423.0" y2="61738.0"/> <atom id="CPD-502-atom27" elementType="O" x2="81173.0" y2="53469.0" formalCharge="-1…

CHEBI CHEBI:37052
structure data: InChI%3D1S%2FC5H10O3%2Fc1-3%284%282%296%295%287%298%2Fh3-4%2C6H%2C1-2H3%2C%28H%2C7%2C8%29%2Ft3-%2C4-%2Fm0%2Fs1

biopax-level3ChemicalStructure144012
structure data: <atom id="AMINO-PARATHION-atom1" elementType="C" x2="3744.0" y2="-1426.0"/> <atom id="AMINO-PARATHION-atom2" elementType="C" x2="3328.0" y2="-2141.0"/> <atom id="AMINO-PARATHION-atom3" elementType="C" x2="3738.0" y2="-2857.0"/> <atom id="AMINO-PARATHION-atom4" elementType="C" x2="4566.0" y2="-2860.0"/> <atom id="AMINO-PARATHION-atom5" elementType="C" x2="4980.0" y2="-2140.0"/> <atom id="AMINO-PARATHION-atom6" elementType="C" x2="4567.0" y2="-1427.0"/> <atom id="AMINO-PARATHION-atom7" elementType="O" x2="5804.0" y2="-2139.0"/> <atom id="AMINO-PARATHION-atom8" elementType="P" x2="6217.0" y2="-2853.0"/> <atom id="AMINO-PARATHION-atom9" elementType="O" x2="6799.0" y2="-2262.0"/> <atom id="AMINO-PARATHION-atom10" elementType="O" x2="6799.0" y2="-3433.0"/> <atom id="AMINO-PARATHION-atom11" elementType="S" x2="5624.0" y2="-3426.0"/> <atom id="AMINO-PARATHION-atom12" elementType="C" x2="7597.0" y2="-2470.0"/> <atom id="AMINO-PARATHION-atom13" elementType="C" x2="8177.0" y2="-1882.0"/> <atom id="AMINO-PARATHION-atom14" elementType="C" x2="6586.0" y2="-4230.0"/> <atom id="AMINO-PARATHION-atom15" elementType="C" x2="7378.0" y2="-4442.0"/> <atom id="AMINO-PARATHION-atom16" elementType="N" x2="2502.0" y2="-2139.0"/> <bond id="AMINO-PARATHION-bond1" atomRefs="AMINO-PARATHION-atom2 AMINO-PARATHION-atom16" order="1"/> <bond id="AMINO-PARATHION-bond2" atomRefs="AMINO-PARATHION-atom14 AMINO-PARATHION-atom15" order="1"/> <bond id="AMINO-PARATHION-bond3" atomRefs="AMINO-PARATHION-atom5 AMINO-PARATHION-atom7" order="1"/> <bond id="AMINO-PARATHION-bond4" atomRefs="AMINO-PARATHION-atom10 AMINO-PARATHION-atom14" order="1"/> <bond id="AMINO-PARATHION-bond5" atomRefs="AMINO-PARATHION-atom4 AMINO-PARATHION-atom3" order="2"/> <bond id="AMINO-PARATHION-bond6" atomRefs="AMINO-PARATHION-atom12 AMINO-PARATHION-atom13" order="1"/> <bond id="AMINO-PARATHION-bond7" atomRefs="AMINO-PARATHION-atom9 AMINO-PARATHION-atom12" order="1"/> <bond id="AMINO-PARATHION-bond8" atomRefs="AMINO-PARATHION-atom2 AMIN…

CHEBI CHEBI:23757
structure data: InChI%3D1S%2FC15H22O5%2Fc1-10%286-12%2817%2918%294-5-15%2819%2913%282%297-11%2816%298-14%2815%2C3%2920-9-13%2Fh4-6%2C11%2C16%2C19H%2C7-9H2%2C1-3H3%2C%28H%2C17%2C18%29%2Fb5-4%2B%2C10-6-%2Ft11-%2C13%2B%2C14%2B%2C15-%2Fm0%2Fs1

CHEBI CHEBI:17359
structure data: InChI%3D1S%2FH2O3S%2Fc1-4%282%293%2Fh%28H2%2C1%2C2%2C3%29%2Fp-2

CHEBI CHEBI:61268
structure data: InChI%3D1S%2FC7H5NO5%2Fc9-6-2-1-4%288%2812%2913%293-5%286%297%2810%2911%2Fh1-3%2C9H%2C%28H%2C10%2C11%29%2Fp-1

biopax-level3ChemicalStructure140073
structure data: <cml> <molecule id="ADP-SUGARS" title="an ADP-sugar" formalCharge="-2" dictRef="dictADP-SUGARS"> <atomArray> <atom id="ADP-SUGARS-atom1" elementType="O" x2="91340.0" y2="115450.0"/> <atom id="ADP-SUGARS-atom2" elementType="C" x2="24600.0" y2="163940.0"/> <atom id="ADP-SUGARS-atom3" elementType="C" x2="50090.0" y2="242400.0"/> <atom id="ADP-SUGARS-atom4" elementType="C" x2="132590.0" y2="242400.0"/> <atom id="ADP-SUGARS-atom5" elementType="C" x2="158080.0" y2="163940.0"/> <atom id="ADP-SUGARS-atom6" elementType="C" x2="73660.0" y2="-120810.0"/> <atom id="ADP-SUGARS-atom7" elementType="N" x2="2210.0" y2="-79550.0"/> <atom id="ADP-SUGARS-atom8" elementType="C" x2="2210.0" y2="2950.0"/> <atom id="ADP-SUGARS-atom9" elementType="N" x2="73660.0" y2="44200.0"/> <atom id="ADP-SUGARS-atom10" elementType="C" x2="145110.0" y2="2950.0"/> <atom id="ADP-SUGARS-atom11" elementType="C" x2="145110.0" y2="-79550.0"/> <atom id="ADP-SUGARS-atom12" elementType="N" x2="223570.0" y2="-105050.0"/> <atom id="ADP-SUGARS-atom13" elementType="N" x2="223570.0" y2="28440.0"/> <atom id="ADP-SUGARS-atom14" elementType="C" x2="272060.0" y2="-38300.0"/> <atom id="ADP-SUGARS-atom15" elementType="N" x2="73660.0" y2="-203310.0"/> <atom id="ADP-SUGARS-atom16" elementType="O" x2="190930.0" y2="300730.0"/> <atom id="ADP-SUGARS-atom17" elementType="O" x2="-8250.0" y2="300730.0"/> <atom id="ADP-SUGARS-atom18" elementType="C" x2="-55090.0" y2="142590.0"/> <atom id="ADP-SUGARS-atom19" elementType="O" x2="-137590.0" y2="142590.0"/> <atom id="ADP-SUGARS-atom20" elementType="P" x2="-220090.0" y2="142590.0"/> <atom id="ADP-SUGARS-atom21" elementType="O" x2="-302590.0" y2="142590.0"/> <atom id="ADP-SUGARS-atom22" elementType="O" x2="-220090.0" y2="60090.0"/> <atom id="ADP-SUGARS-atom23" elementType="O" x2="-220090.0" y2="225090.0" formalCharge="-1"/> <atom id="ADP-SUGARS-atom24" elementType="P" x2="-385090.0" y2="142590.0"/> <atom id="ADP-SUGARS-atom25" elementType="O" x2="-385090.0" y2="60090.0"/> <atom id="ADP-SU…

CHEBI CHEBI:32391
structure data: InChI%3D1S%2FC18H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh6-7%2C9-10%2C12-13H%2C2-5%2C8%2C11%2C14-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb7-6-%2C10-9-%2C13-12-

CHEBI CHEBI:28044
structure data: InChI%3D1S%2FC9H11NO2%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6%2C10H2%2C%28H%2C11%2C12%29

CHEBI CHEBI:57597
structure data: InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29%2Fp-2%2Ft3-%2Fm1%2Fs1

CHEBI CHEBI:57706
structure data: InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1

CHEBI CHEBI:61267
structure data: InChI%3D1S%2FC7H6N2O4%2Fc8-6-2-1-4%289%2812%2913%293-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29%2Fp-1

CHEBI CHEBI:36794
structure data: InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3%2Ft9-%2Fm1%2Fs1

CHEBI CHEBI:64808
structure data: InChI%3D1S%2FC9H12O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1%2C3%2C6-7%2C10H%2C2%2C4-5H2%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure163971
structure data: <atom id="CPD-9871-atom1" elementType="C" x2="40572.0" y2="-31062.0"/> <atom id="CPD-9871-atom2" elementType="C" x2="69148.0" y2="-31384.0"/> <atom id="CPD-9871-atom3" elementType="C" x2="98034.0" y2="-31705.0"/> <atom id="CPD-9871-atom4" elementType="C" x2="126299.0" y2="-32031.0"/> <atom id="CPD-9871-atom5" elementType="C" x2="154874.0" y2="-32353.0"/> <atom id="CPD-9871-atom6" elementType="C" x2="183449.0" y2="-32675.0"/> <atom id="CPD-9871-atom7" elementType="C" x2="212026.0" y2="-32999.0"/> <atom id="CPD-9871-atom8" elementType="C" x2="240750.0" y2="-33322.0"/> <atom id="CPD-9871-atom9" elementType="C" x2="254886.0" y2="-8897.0"/> <atom id="CPD-9871-atom10" elementType="O" x2="269417.0" y2="0.0"/> <atom id="CPD-9871-atom11" elementType="O" x2="269694.0" y2="-33737.0"/> <atom id="CPD-9871-atom12" elementType="C" x2="47856.0" y2="-18769.0"/> <atom id="CPD-9871-atom13" elementType="C" x2="76432.0" y2="-19091.0"/> <atom id="CPD-9871-atom14" elementType="C" x2="105007.0" y2="-19414.0"/> <atom id="CPD-9871-atom15" elementType="C" x2="133581.0" y2="-19737.0"/> <atom id="CPD-9871-atom16" elementType="C" x2="162158.0" y2="-20060.0"/> <atom id="CPD-9871-atom17" elementType="C" x2="190733.0" y2="-20382.0"/> <atom id="CPD-9871-atom18" elementType="C" x2="219309.0" y2="-20705.0"/> <atom id="CPD-9871-atom19" elementType="C" x2="247883.0" y2="-21028.0"/> <atom id="CPD-9871-atom20" elementType="C" x2="276672.0" y2="-12547.0"/> <atom id="CPD-9871-atom21" elementType="C" x2="54954.0" y2="-22974.0"/> <atom id="CPD-9871-atom22" elementType="C" x2="83529.0" y2="-23296.0"/> <atom id="CPD-9871-atom23" elementType="C" x2="112104.0" y2="-23620.0"/> <atom id="CPD-9871-atom24" elementType="C" x2="140679.0" y2="-23942.0"/> <atom id="CPD-9871-atom25" elementType="C" x2="169256.0" y2="-24265.0"/> <atom id="CPD-9871-atom26" elementType="C" x2="197830.0" y2="-24588.0"/> <atom id="CPD-9871-atom27" elementType="C" x2="226407.0" y2="-24911.0"/> <atom id="CPD-9871-atom28" elementType="C" x2="2549…

CHEBI CHEBI:30882
structure data: InChI%3D1S%2FC5H7NO4%2Fc6-4%288%292-1-3%287%295%289%2910%2Fh1-2H2%2C%28H2%2C6%2C8%29%28H%2C9%2C10%29

biopax-level3ChemicalStructure150609
structure data: <atom id="CPD-11671-atom1" elementType="C" x2="-6777.0" y2="-2063.0"/> <atom id="CPD-11671-atom2" elementType="C" x2="-13921.0" y2="2062.0"/> <atom id="CPD-11671-atom3" elementType="C" x2="-13921.0" y2="10313.0"/> <atom id="CPD-11671-atom4" elementType="C" x2="-6777.0" y2="14438.0"/> <atom id="CPD-11671-atom5" elementType="C" x2="8214.0" y2="-487.0"/> <atom id="CPD-11671-atom6" elementType="C" x2="368.0" y2="2062.0"/> <atom id="CPD-11671-atom7" elementType="C" x2="368.0" y2="10313.0"/> <atom id="CPD-11671-atom8" elementType="N" x2="8214.0" y2="12861.0"/> <atom id="CPD-11671-atom9" elementType="C" x2="13063.0" y2="6187.0"/> <atom id="CPD-11671-atom10" elementType="O" x2="-21066.0" y2="-2063.0"/> <atom id="CPD-11671-atom11" elementType="C" x2="10763.0" y2="-8333.0"/> <atom id="CPD-11671-atom12" elementType="C" x2="18833.0" y2="-10049.0"/> <atom id="CPD-11671-atom13" elementType="O" x2="21383.0" y2="-17895.0"/> <bond id="CPD-11671-bond1" atomRefs="CPD-11671-atom1 CPD-11671-atom2" order="2"/> <bond id="CPD-11671-bond2" atomRefs="CPD-11671-atom2 CPD-11671-atom3" order="1"/> <bond id="CPD-11671-bond3" atomRefs="CPD-11671-atom3 CPD-11671-atom4" order="2"/> <bond id="CPD-11671-bond4" atomRefs="CPD-11671-atom4 CPD-11671-atom7" order="1"/> <bond id="CPD-11671-bond5" atomRefs="CPD-11671-atom1 CPD-11671-atom6" order="1"/> <bond id="CPD-11671-bond6" atomRefs="CPD-11671-atom5 CPD-11671-atom6" order="1"/> <bond id="CPD-11671-bond7" atomRefs="CPD-11671-atom7 CPD-11671-atom8" order="1"/> <bond id="CPD-11671-bond8" atomRefs="CPD-11671-atom8 CPD-11671-atom9" order="1"/> <bond id="CPD-11671-bond9" atomRefs="CPD-11671-atom5 CPD-11671-atom9" order="2"/> <bond id="CPD-11671-bond10" atomRefs="CPD-11671-atom6 CPD-11671-atom7" order="2"/> <bond id="CPD-11671-bond11" atomRefs="CPD-11671-atom2 CPD-11671-atom10" order="1"/> <bond id="CPD-11671-bond12" atomRefs="CPD-11671-atom5 CPD-11671-atom11" order="1"/> <bond id="CPD-11671-bond13" atomRefs="CPD-11671-atom11 CPD-11671-atom12" order="1"/> <bon…

CHEBI CHEBI:18399
structure data: InChI%3D1S%2FC18H19NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3-6%2C11-12%2C17H%2C7-9H2%2C1-2H3%2Ft11-%2C12%2B%2C17-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:59332
structure data: InChI%3D1S%2FC9H11NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7H%2C10H2%2C1H3

CHEBI CHEBI:36431
structure data: InChI%3D1S%2FC5H8O2%2Fc1-3-4%282%295%286%297%2Fh3H%2C1-2H3%2C%28H%2C6%2C7%29%2Fb4-3-

CHEBI CHEBI:31697
structure data: InChI%3D1S%2FC8H7NO%2Fc10-8-5-6-3-1-2-4-7%286%299-8%2Fh1-4H%2C5H2%2C%28H%2C9%2C10%29

biopax-level3ChemicalStructure160313
structure data: <atom id="CPD-11410-atom1" elementType="C" x2="15321.0" y2="-25928.0"/> <atom id="CPD-11410-atom2" elementType="C" x2="8177.0" y2="-21803.0"/> <atom id="CPD-11410-atom3" elementType="C" x2="8177.0" y2="-13553.0"/> <atom id="CPD-11410-atom4" elementType="C" x2="15321.0" y2="-9428.0"/> <atom id="CPD-11410-atom5" elementType="C" x2="22465.0" y2="-13553.0"/> <atom id="CPD-11410-atom6" elementType="C" x2="22465.0" y2="-21803.0"/> <atom id="CPD-11410-atom7" elementType="O" x2="1032.0" y2="-9429.0"/> <atom id="CPD-11410-atom8" elementType="C" x2="1032.0" y2="-1179.0"/> <atom id="CPD-11410-atom9" elementType="C" x2="-6113.0" y2="2947.0"/> <atom id="CPD-11410-atom10" elementType="C" x2="-6113.0" y2="11197.0"/> <atom id="CPD-11410-atom11" elementType="C" x2="1032.0" y2="15322.0"/> <atom id="CPD-11410-atom12" elementType="C" x2="8177.0" y2="11197.0"/> <atom id="CPD-11410-atom13" elementType="C" x2="8177.0" y2="2947.0"/> <atom id="CPD-11410-atom14" elementType="C" x2="1032.0" y2="23571.0"/> <atom id="CPD-11410-atom15" elementType="C" x2="-5474.0" y2="28644.0"/> <atom id="CPD-11410-atom16" elementType="O" x2="-4333.0" y2="36815.0" formalCharge="-1"/> <atom id="CPD-11410-atom17" elementType="O" x2="-13120.0" y2="25547.0"/> <atom id="CPD-11410-atom18" elementType="O" x2="29610.0" y2="-25928.0"/> <atom id="CPD-11410-atom19" elementType="I" x2="29610.0" y2="-9429.0"/> <atom id="CPD-11410-atom20" elementType="I" x2="15321.0" y2="-1178.0"/> <atom id="CPD-11410-atom21" elementType="I" x2="-13257.0" y2="-1178.0"/> <atom id="CPD-11410-atom22" elementType="C" x2="36401.0" y2="-30613.0"/> <atom id="CPD-11410-atom23" elementType="C" x2="43546.0" y2="-42988.0"/> <atom id="CPD-11410-atom24" elementType="C" x2="36401.0" y2="-38863.0"/> <atom id="CPD-11410-atom25" elementType="O" x2="43546.0" y2="-26488.0"/> <atom id="CPD-11410-atom26" elementType="C" x2="50690.0" y2="-30613.0"/> <atom id="CPD-11410-atom27" elementType="C" x2="50690.0" y2="-38863.0"/> <atom id="CPD-11410-atom28" elementType="O"…

biopax-level3ChemicalStructure170097
structure data: <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom1" elementType="C" x2="2167900.0" y2="-2472100.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom2" elementType="C" x2="4287000.0" y2="-3710000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom3" elementType="O" x2="0.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom4" elementType="O" x2="4287000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom5" elementType="O" x2="3522000.0" y2="-4120300.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom6" elementType="C" x2="714000.0" y2="-1647000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom7" elementType="C" x2="1429000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom8" elementType="C" x2="5556000.0" y2="-2472000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom9" elementType="C" x2="5071000.0" y2="-1805000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom10" elementType="C" x2="1429000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom11" elementType="C" x2="2858000.0" y2="-410000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom12" elementType="C" x2="2858000.0" y2="-2885000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom13" elementType="C" x2="714000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom14" elementType="C" x2="3572000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom15" elementType="C" x2="3572000.0" y2="-3297000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom16" elementType="C" x2="2143000.0" y2="-822000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom17" elementType="C" x2="5071000.0" y2="-3140000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom18" elementType="C" x2="4287000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom19" elementType="C" x2="2858000.0" y2="-2060000.0"/> <atom id="5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL-atom20" elementType="C" x2="2143000.0" y2…

CHEBI CHEBI:64788
structure data: InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-3%2C7%2C10H%2C4-5H2%2C%28H%2C12%2C13%29%2Fp-1

biopax-level3ChemicalStructure144178
structure data: <cml> <molecule id="GALACTOSYLCERAMIDE-SULFATE" title="a cerebroside 3-sulfate" formalCharge="0" dictRef="dictGALACTOSYLCERAMIDE-SULFATE"> <atomArray> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom1" elementType="C" x2="27811.0" y2="-7333.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom2" elementType="O" x2="10889.0" y2="-5621.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom3" elementType="O" x2="2193.0" y2="-1400.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom4" elementType="O" x2="4993.0" y2="-1400.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom5" elementType="O" x2="0.0" y2="-6228.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom6" elementType="O" x2="9622.0" y2="-9115.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom7" elementType="O" x2="1168.0" y2="-4200.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom8" elementType="O" x2="6018.0" y2="-4200.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom9" elementType="O" x2="3593.0" y2="0.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom10" elementType="R" x2="9695.0" y2="-3512.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom11" elementType="C" x2="12139.0" y2="-7666.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom12" elementType="C" x2="10881.0" y2="-7052.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom13" elementType="C" x2="26624.0" y2="-8074.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom14" elementType="C" x2="13387.0" y2="-7030.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom15" elementType="C" x2="1168.0" y2="-7000.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom16" elementType="C" x2="25482.0" y2="-7264.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom17" elementType="C" x2="14561.0" y2="-7794.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom18" elementType="C" x2="24255.0" y2="-7939.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom19" elementType="C" x2="15785.0" y2="-7115.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom20" elementType="C" x2="23021.0" y2="-7278.0"/> <atom id="GALACTOSYLCERAMIDE-SULFATE-atom21" elementType="C" x2="17002.0" y2="-7807.0"/> <atom…

CHEBI CHEBI:27404
structure data: InChI%3D1S%2FC8H7NO2%2Fc10-7-3-5-1-2-9-6%285%294-8%287%2911%2Fh1-4%2C9-11H

CHEBI CHEBI:15347
structure data: InChI%3D1S%2FC3H6O%2Fc1-3%282%294%2Fh1-2H3

biopax-level3ChemicalStructure148904
structure data: <cml> <molecule id="All-trans-Retinyl-Esters" title="an all-trans-retinyl ester" formalCharge="0" dictRef="dictAll-trans-Retinyl-Esters"> <atomArray> <atom id="All-trans-Retinyl-Esters-atom1" elementType="C" x2="-126490.0" y2="87080.0"/> <atom id="All-trans-Retinyl-Esters-atom2" elementType="C" x2="-126490.0" y2="170510.0"/> <atom id="All-trans-Retinyl-Esters-atom3" elementType="C" x2="-55040.0" y2="212670.0"/> <atom id="All-trans-Retinyl-Esters-atom4" elementType="C" x2="17310.0" y2="170510.0"/> <atom id="All-trans-Retinyl-Esters-atom5" elementType="C" x2="17310.0" y2="87080.0"/> <atom id="All-trans-Retinyl-Esters-atom6" elementType="C" x2="-55040.0" y2="45840.0"/> <atom id="All-trans-Retinyl-Esters-atom7" elementType="C" x2="88840.0" y2="211610.0"/> <atom id="All-trans-Retinyl-Esters-atom8" elementType="C" x2="-730.0" y2="-20610.0"/> <atom id="All-trans-Retinyl-Esters-atom9" elementType="C" x2="-96590.0" y2="-25430.0"/> <atom id="All-trans-Retinyl-Esters-atom10" elementType="C" x2="88650.0" y2="45640.0"/> <atom id="All-trans-Retinyl-Esters-atom11" elementType="C" x2="160210.0" y2="86700.0"/> <atom id="All-trans-Retinyl-Esters-atom12" elementType="C" x2="231540.0" y2="45250.0"/> <atom id="All-trans-Retinyl-Esters-atom13" elementType="C" x2="303100.0" y2="86300.0"/> <atom id="All-trans-Retinyl-Esters-atom14" elementType="C" x2="374430.0" y2="44860.0"/> <atom id="All-trans-Retinyl-Esters-atom15" elementType="C" x2="445980.0" y2="85910.0"/> <atom id="All-trans-Retinyl-Esters-atom16" elementType="C" x2="517320.0" y2="44460.0"/> <atom id="All-trans-Retinyl-Esters-atom17" elementType="C" x2="231310.0" y2="-37240.0"/> <atom id="All-trans-Retinyl-Esters-atom18" elementType="C" x2="517100.0" y2="-38040.0"/> <atom id="All-trans-Retinyl-Esters-atom19" elementType="C" x2="588870.0" y2="85510.0"/> <atom id="All-trans-Retinyl-Esters-atom20" elementType="C" x2="660200.0" y2="44060.0"/> <atom id="All-trans-Retinyl-Esters-atom21" elementType="O" x2="731770.0" y2="85130.0"/> <atom i…

CHEBI CHEBI:57476
structure data: InChI%3D1S%2FC4H9NO3%2Fc5-3%281-2-6%294%287%298%2Fh3%2C6H%2C1-2%2C5H2%2C%28H%2C7%2C8%29%2Ft3-%2Fm0%2Fs1

biopax-level3ChemicalStructure167377
structure data: <atom id="CPD-4081-atom1" elementType="C" x2="30624.0" y2="8937.0"/> <atom id="CPD-4081-atom2" elementType="C" x2="23479.0" y2="13062.0"/> <atom id="CPD-4081-atom3" elementType="C" x2="44913.0" y2="25437.0"/> <atom id="CPD-4081-atom4" elementType="C" x2="52058.0" y2="21312.0"/> <atom id="CPD-4081-atom5" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="CPD-4081-atom6" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="CPD-4081-atom7" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="CPD-4081-atom8" elementType="C" x2="44913.0" y2="687.0"/> <atom id="CPD-4081-atom9" elementType="C" x2="67048.0" y2="-1863.0"/> <atom id="CPD-4081-atom10" elementType="C" x2="83448.0" y2="-3671.0"/> <atom id="CPD-4081-atom11" elementType="C" x2="104731.0" y2="1170.0"/> <atom id="CPD-4081-atom12" elementType="C" x2="93214.0" y2="9628.0"/> <atom id="CPD-4081-atom13" elementType="C" x2="96531.0" y2="2074.0"/> <atom id="CPD-4081-atom14" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="CPD-4081-atom15" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="CPD-4081-atom16" elementType="C" x2="59202.0" y2="-7563.0"/> <atom id="CPD-4081-atom17" elementType="C" x2="70365.0" y2="-9416.0"/> <atom id="CPD-4081-atom18" elementType="C" x2="65482.0" y2="-16066.0"/> <atom id="CPD-4081-atom19" elementType="C" x2="23479.0" y2="21312.0"/> <atom id="CPD-4081-atom20" elementType="O" x2="16336.0" y2="25437.0"/> <atom id="CPD-4081-atom21" elementType="C" x2="78566.0" y2="-10321.0"/> <atom id="CPD-4081-atom22" elementType="C" x2="37769.0" y2="21312.0"/> <atom id="CPD-4081-atom23" elementType="C" x2="30624.0" y2="25437.0"/> <atom id="CPD-4081-atom24" elementType="C" x2="30374.0" y2="33832.0"/> <atom id="CPD-4081-atom25" elementType="C" x2="91648.0" y2="-4576.0"/> <atom id="CPD-4081-atom26" elementType="C" x2="94965.0" y2="-12129.0"/> <atom id="CPD-4081-atom27" elementType="C" x2="59202.0" y2="687.0"/> <atom id="CPD-4081-atom28" elementType="C" x2="59202.0" y2="8937.0"/> <atom id="CPD-4081-atom29" e…

CHEBI CHEBI:31014
structure data: InChI%3D1S%2FC24H48O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24%2825%2926%2Fh2-23H2%2C1H3%2C%28H%2C25%2C26%29%2Fp-1

CHEBI CHEBI:16469
structure data: InChI%3D1S%2FC18H24O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-17%2C19-20H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15-%2C16%2B%2C17%2B%2C18%2B%2Fm1%2Fs1

CHEBI CHEBI:16914
structure data: InChI%3D1S%2FC7H6O3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H%2C%28H%2C9%2C10%29

CHEBI CHEBI:33539
structure data: InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-1

biopax-level3ChemicalStructure169750
structure data: <atom id="ALPHA-TOCOPHEROL-atom1" elementType="C" x2="30789.0" y2="23095.0"/> <atom id="ALPHA-TOCOPHEROL-atom2" elementType="C" x2="30790.0" y2="14845.0"/> <atom id="ALPHA-TOCOPHEROL-atom3" elementType="C" x2="37934.0" y2="10720.0"/> <atom id="ALPHA-TOCOPHEROL-atom4" elementType="C" x2="23645.0" y2="10720.0"/> <atom id="ALPHA-TOCOPHEROL-atom5" elementType="C" x2="37934.0" y2="2470.0"/> <atom id="ALPHA-TOCOPHEROL-atom6" elementType="O" x2="45079.0" y2="14845.0"/> <atom id="ALPHA-TOCOPHEROL-atom7" elementType="C" x2="16500.0" y2="14845.0"/> <atom id="ALPHA-TOCOPHEROL-atom8" elementType="C" x2="23645.0" y2="2470.0"/> <atom id="ALPHA-TOCOPHEROL-atom9" elementType="C" x2="45079.0" y2="-1655.0"/> <atom id="ALPHA-TOCOPHEROL-atom10" elementType="C" x2="30790.0" y2="-1655.0"/> <atom id="ALPHA-TOCOPHEROL-atom11" elementType="O" x2="16500.0" y2="-1655.0"/> <atom id="ALPHA-TOCOPHEROL-atom12" elementType="C" x2="52223.0" y2="2470.0"/> <atom id="ALPHA-TOCOPHEROL-atom13" elementType="C" x2="30790.0" y2="-9905.0"/> <atom id="ALPHA-TOCOPHEROL-atom14" elementType="C" x2="58467.0" y2="14330.0"/> <atom id="ALPHA-TOCOPHEROL-atom15" elementType="C" x2="64926.0" y2="10334.0"/> <atom id="ALPHA-TOCOPHEROL-atom16" elementType="C" x2="72109.0" y2="14391.0"/> <atom id="ALPHA-TOCOPHEROL-atom17" elementType="C" x2="86399.0" y2="14255.0"/> <atom id="ALPHA-TOCOPHEROL-atom18" elementType="C" x2="93504.0" y2="10063.0"/> <atom id="ALPHA-TOCOPHEROL-atom19" elementType="C" x2="100687.0" y2="14120.0"/> <atom id="ALPHA-TOCOPHEROL-atom20" elementType="C" x2="114976.0" y2="13984.0"/> <atom id="ALPHA-TOCOPHEROL-atom21" elementType="C" x2="122081.0" y2="9792.0"/> <atom id="ALPHA-TOCOPHEROL-atom22" elementType="C" x2="129265.0" y2="13849.0"/> <atom id="ALPHA-TOCOPHEROL-atom23" elementType="C" x2="143554.0" y2="13713.0"/> <atom id="ALPHA-TOCOPHEROL-atom24" elementType="C" x2="52223.0" y2="10720.0"/> <atom id="ALPHA-TOCOPHEROL-atom25" elementType="C" x2="52223.0" y2="18970.0"/> <atom id="ALPHA-TOCOPHEROL-atom26…

biopax-level3ChemicalStructure150585
structure data: <atom id="CPD-12017-atom1" elementType="C" x2="6400.0" y2="-1321.0"/> <atom id="CPD-12017-atom2" elementType="O" x2="7090.0" y2="-2556.0"/> <atom id="CPD-12017-atom3" elementType="O" x2="0.0" y2="-2507.0"/> <atom id="CPD-12017-atom4" elementType="C" x2="708.0" y2="-1273.0"/> <atom id="CPD-12017-atom5" elementType="C" x2="1415.0" y2="-855.0"/> <atom id="CPD-12017-atom6" elementType="C" x2="1415.0" y2="-2507.0"/> <atom id="CPD-12017-atom7" elementType="C" x2="3561.0" y2="-1273.0"/> <atom id="CPD-12017-atom8" elementType="C" x2="4974.0" y2="-2118.0"/> <atom id="CPD-12017-atom9" elementType="C" x2="4261.0" y2="-2516.0"/> <atom id="CPD-12017-atom10" elementType="N" x2="5676.0" y2="-2536.0"/> <atom id="CPD-12017-atom11" elementType="C" x2="6389.0" y2="-2138.0"/> <atom id="CPD-12017-atom12" elementType="C" x2="708.0" y2="-2099.0"/> <atom id="CPD-12017-atom13" elementType="C" x2="3561.0" y2="-2099.0"/> <atom id="CPD-12017-atom14" elementType="C" x2="2132.0" y2="-2099.0"/> <atom id="CPD-12017-atom15" elementType="C" x2="2132.0" y2="-1273.0"/> <atom id="CPD-12017-atom16" elementType="N" x2="2846.0" y2="-857.0"/> <atom id="CPD-12017-atom17" elementType="S" x2="-825.0" y2="-2511.0"/> <atom id="CPD-12017-atom18" elementType="O" x2="-821.0" y2="-3336.0"/> <atom id="CPD-12017-atom19" elementType="O" x2="-824.0" y2="-1686.0"/> <atom id="CPD-12017-atom20" elementType="O" x2="-1650.0" y2="-2506.0"/> <bond id="CPD-12017-bond1" atomRefs="CPD-12017-atom16 CPD-12017-atom15" order="1"/> <bond id="CPD-12017-bond2" atomRefs="CPD-12017-atom15 CPD-12017-atom14" order="1"/> <bond id="CPD-12017-bond3" atomRefs="CPD-12017-atom14 CPD-12017-atom13" order="1"/> <bond id="CPD-12017-bond4" atomRefs="CPD-12017-atom10 CPD-12017-atom11" order="1"/> <bond id="CPD-12017-bond5" atomRefs="CPD-12017-atom9 CPD-12017-atom13" order="1"/> <bond id="CPD-12017-bond6" atomRefs="CPD-12017-atom8 CPD-12017-atom10" order="1"/> <bond id="CPD-12017-bond7" atomRefs="CPD-12017-atom8 CPD-12017-atom9" order="1"/> <bond id="C…

CHEBI CHEBI:8448
structure data: InChI%3D1S%2FC19H29NO%2Fc21-19%2817-9-3-1-4-10-17%2C18-11-5-2-6-12-18%2913-16-20-14-7-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2

CHEBI CHEBI:2089
structure data: InChI%3D1S%2FC11H14N2O%2Fc1-14-9-2-3-11-10%286-9%298%284-5-12%297-13-11%2Fh2-3%2C6-7%2C13H%2C4-5%2C12H2%2C1H3

biopax-level3ChemicalStructure169422
structure data: <atom id="CPD-4184-atom1" elementType="C" x2="30625.0" y2="8937.0"/> <atom id="CPD-4184-atom2" elementType="C" x2="23480.0" y2="13062.0"/> <atom id="CPD-4184-atom3" elementType="C" x2="30625.0" y2="25438.0"/> <atom id="CPD-4184-atom4" elementType="C" x2="37769.0" y2="21313.0"/> <atom id="CPD-4184-atom5" elementType="C" x2="44913.0" y2="25438.0"/> <atom id="CPD-4184-atom6" elementType="C" x2="52058.0" y2="21313.0"/> <atom id="CPD-4184-atom7" elementType="C" x2="52058.0" y2="13062.0"/> <atom id="CPD-4184-atom8" elementType="C" x2="44913.0" y2="8937.0"/> <atom id="CPD-4184-atom9" elementType="C" x2="52058.0" y2="-3438.0"/> <atom id="CPD-4184-atom10" elementType="C" x2="44913.0" y2="687.0"/> <atom id="CPD-4184-atom11" elementType="C" x2="67049.0" y2="-1862.0"/> <atom id="CPD-4184-atom12" elementType="C" x2="77779.0" y2="-11299.0"/> <atom id="CPD-4184-atom13" elementType="C" x2="83227.0" y2="-5105.0"/> <atom id="CPD-4184-atom14" elementType="C" x2="104853.0" y2="-2153.0"/> <atom id="CPD-4184-atom15" elementType="C" x2="94124.0" y2="7285.0"/> <atom id="CPD-4184-atom16" elementType="C" x2="96765.0" y2="-532.0"/> <atom id="CPD-4184-atom17" elementType="C" x2="37769.0" y2="13062.0"/> <atom id="CPD-4184-atom18" elementType="C" x2="37769.0" y2="4812.0"/> <atom id="CPD-4184-atom19" elementType="C" x2="59203.0" y2="-7563.0"/> <atom id="CPD-4184-atom20" elementType="C" x2="91317.0" y2="-6726.0"/> <atom id="CPD-4184-atom21" elementType="C" x2="69690.0" y2="-9678.0"/> <atom id="CPD-4184-atom22" elementType="C" x2="64241.0" y2="-15873.0"/> <atom id="CPD-4184-atom23" elementType="C" x2="23480.0" y2="21313.0"/> <atom id="CPD-4184-atom24" elementType="O" x2="16336.0" y2="25438.0"/> <atom id="CPD-4184-atom25" elementType="C" x2="59203.0" y2="8937.0"/> <atom id="CPD-4184-atom26" elementType="C" x2="59203.0" y2="687.0"/> <atom id="CPD-4184-atom27" elementType="C" x2="67049.0" y2="11486.0"/> <atom id="CPD-4184-atom28" elementType="C" x2="71898.0" y2="4812.0"/> <atom id="CPD-4184-atom29" el…

CHEBI CHEBI:38361
structure data: InChI%3D1S%2FC6H8O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H%2C1H3%2C%28H%2C7%2C8%29%2Fb3-2-%2C5-4%2B

CHEBI CHEBI:17460
structure data: InChI%3D1S%2FC8H15NOS2%2Fc9-8%2810%294-2-1-3-7-5-6-11-12-7%2Fh7H%2C1-6H2%2C%28H2%2C9%2C10%29

CHEBI CHEBI:17647
structure data: InChI%3D1S%2FC5H8O5%2Fc6-2-3%287%291-4%288%295%289%2910%2Fh3%2C6-7H%2C1-2H2%2C%28H%2C9%2C10%29%2Ft3-%2Fm1%2Fs1

biopax-level3ChemicalStructure160246
structure data: <cml> <molecule id="CPD-13064" title="beta-D-galactosyl-(1,4)-N-acetyl-D-galactosaminyl-(1-3)-beta-D-galactosyl-1,4-D-glucosyl-(11)-ceramide" formalCharge="0"> <atomArray> <atom id="CPD-13064-atom1" elementType="C" x2="205353.0" y2="-95233.0"/> <atom id="CPD-13064-atom2" elementType="C" x2="50652.0" y2="-24476.0"/> <atom id="CPD-13064-atom3" elementType="O" x2="36637.0" y2="-20187.0"/> <atom id="CPD-13064-atom4" elementType="O" x2="105082.0" y2="-113868.0"/> <atom id="CPD-13064-atom5" elementType="O" x2="-13716.0" y2="-41296.0"/> <atom id="CPD-13064-atom6" elementType="O" x2="27727.0" y2="-83352.0"/> <atom id="CPD-13064-atom7" elementType="O" x2="13546.0" y2="-56972.0"/> <atom id="CPD-13064-atom8" elementType="O" x2="54282.0" y2="-99687.0"/> <atom id="CPD-13064-atom9" elementType="O" x2="104258.0" y2="-80722.0"/> <atom id="CPD-13064-atom10" elementType="O" x2="627.0" y2="-7823.0"/> <atom id="CPD-13064-atom11" elementType="O" x2="-14211.0" y2="-16557.0"/> <atom id="CPD-13064-atom12" elementType="O" x2="14323.0" y2="-15567.0"/> <atom id="CPD-13064-atom13" elementType="O" x2="84786.0" y2="-77422.0"/> <atom id="CPD-13064-atom14" elementType="O" x2="70442.0" y2="-68182.0"/> <atom id="CPD-13064-atom15" elementType="O" x2="27561.0" y2="-58787.0"/> <atom id="CPD-13064-atom16" elementType="O" x2="56262.0" y2="-58787.0"/> <atom id="CPD-13064-atom17" elementType="R" x2="112243.0" y2="-101701.0"/> <atom id="CPD-13064-atom18" elementType="C" x2="119098.0" y2="-88962.0"/> <atom id="CPD-13064-atom19" elementType="C" x2="111672.0" y2="-92592.0"/> <atom id="CPD-13064-atom20" elementType="C" x2="199083.0" y2="-89787.0"/> <atom id="CPD-13064-atom21" elementType="C" x2="125863.0" y2="-93583.0"/> <atom id="CPD-13064-atom22" elementType="C" x2="-13716.0" y2="-33057.0"/> <atom id="CPD-13064-atom23" elementType="C" x2="27727.0" y2="-75277.0"/> <atom id="CPD-13064-atom24" elementType="C" x2="13546.0" y2="-48722.0"/> <atom id="CPD-13064-atom25" elementType="C" x2="54282.0" y2="-91602.0"/> <a…

CHEBI CHEBI:63902
structure data: InChI%3D1S%2FC10H18O%2Fc1-6%282%2910-4-8%2810%297%283%299%2811%295-10%2Fh6-9%2C11H%2C4-5H2%2C1-3H3%2Ft7-%2C8-%2C9%2B%2C10%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure174527
structure data: <atom id="CPD-11830-atom1" elementType="C" x2="-5009.0" y2="-10018.0"/> <atom id="CPD-11830-atom2" elementType="C" x2="-12154.0" y2="-5893.0"/> <atom id="CPD-11830-atom3" elementType="C" x2="-12154.0" y2="2357.0"/> <atom id="CPD-11830-atom4" elementType="C" x2="-5009.0" y2="6482.0"/> <atom id="CPD-11830-atom5" elementType="C" x2="2136.0" y2="2357.0"/> <atom id="CPD-11830-atom6" elementType="C" x2="2136.0" y2="-5893.0"/> <atom id="CPD-11830-atom7" elementType="O" x2="-19298.0" y2="-10018.0"/> <atom id="CPD-11830-atom8" elementType="O" x2="-5009.0" y2="-18268.0"/> <atom id="CPD-11830-atom9" elementType="C" x2="2136.0" y2="-22393.0"/> <atom id="CPD-11830-atom10" elementType="C" x2="9448.0" y2="6479.0"/> <atom id="CPD-11830-atom11" elementType="C" x2="9429.0" y2="14729.0"/> <atom id="CPD-11830-atom12" elementType="C" x2="16895.0" y2="18574.0"/> <atom id="CPD-11830-atom13" elementType="O" x2="2616.0" y2="19122.0"/> <atom id="CPD-11830-atom14" elementType="O" x2="17211.0" y2="26817.0"/> <atom id="CPD-11830-atom15" elementType="O" x2="23876.0" y2="14178.0"/> <bond id="CPD-11830-bond1" atomRefs="CPD-11830-atom1 CPD-11830-atom2" order="2"/> <bond id="CPD-11830-bond2" atomRefs="CPD-11830-atom2 CPD-11830-atom3" order="1"/> <bond id="CPD-11830-bond3" atomRefs="CPD-11830-atom3 CPD-11830-atom4" order="2"/> <bond id="CPD-11830-bond4" atomRefs="CPD-11830-atom4 CPD-11830-atom5" order="1"/> <bond id="CPD-11830-bond5" atomRefs="CPD-11830-atom5 CPD-11830-atom6" order="2"/> <bond id="CPD-11830-bond6" atomRefs="CPD-11830-atom1 CPD-11830-atom6" order="1"/> <bond id="CPD-11830-bond7" atomRefs="CPD-11830-atom2 CPD-11830-atom7" order="1"/> <bond id="CPD-11830-bond8" atomRefs="CPD-11830-atom1 CPD-11830-atom8" order="1"/> <bond id="CPD-11830-bond9" atomRefs="CPD-11830-atom8 CPD-11830-atom9" order="1"/> <bond id="CPD-11830-bond10" atomRefs="CPD-11830-atom5 CPD-11830-atom10" order="1"/> <bond id="CPD-11830-bond11" atomRefs="CPD-11830-atom10 CPD-11830-atom11" order="1"/> <bond id="CPD-11830-bond1…

biopax-level3ChemicalStructure176027
structure data: <atom id="ETR-Quinols-atom1" elementType="H" x2="-999.0" y2="-552.0"/> <atom id="ETR-Quinols-atom2" elementType="ETR-Quinones" x2="-810.0" y2="-364.0"/> <atom id="ETR-Quinols-atom3" elementType="H" x2="-622.0" y2="-552.0"/> <bond id="ETR-Quinols-bond1" atomRefs="ETR-Quinols-atom1 ETR-Quinols-atom2" order="1"/> <bond id="ETR-Quinols-bond2" atomRefs="ETR-Quinols-atom2 ETR-Quinols-atom3" order="1"/> <formula concise=""/> [an electron-transfer-related quinoneH2]

biopax-level3ChemicalStructure164157
structure data: <atom id="CPD-8578-atom1" elementType="C" x2="1406.0" y2="1148.0"/> <atom id="CPD-8578-atom2" elementType="C" x2="1478.0" y2="1108.0"/> <atom id="CPD-8578-atom3" elementType="C" x2="1338.0" y2="1104.0"/> <atom id="CPD-8578-atom4" elementType="N" x2="1409.0" y2="1231.0" formalCharge="1"/> <atom id="CPD-8578-atom5" elementType="C" x2="1551.0" y2="1150.0"/> <atom id="CPD-8578-atom6" elementType="O" x2="1267.0" y2="1144.0" formalCharge="-1"/> <atom id="CPD-8578-atom7" elementType="O" x2="1336.0" y2="1021.0"/> <atom id="CPD-8578-atom8" elementType="C" x2="1623.0" y2="1110.0"/> <atom id="CPD-8578-atom9" elementType="C" x2="1694.0" y2="1152.0"/> <atom id="CPD-8578-atom10" elementType="N" x2="1766.0" y2="1112.0" formalCharge="1"/> <atom id="CPD-8578-atom11" elementType="Histones" x2="1351.0" y2="1289.0"/> <bond id="CPD-8578-bond1" atomRefs="CPD-8578-atom1 CPD-8578-atom2" order="1"/> <bond id="CPD-8578-bond2" atomRefs="CPD-8578-atom1 CPD-8578-atom3" order="1"/> <bond id="CPD-8578-bond3" atomRefs="CPD-8578-atom4 CPD-8578-atom1" order="1"/> <bond id="CPD-8578-bond4" atomRefs="CPD-8578-atom2 CPD-8578-atom5" order="1"/> <bond id="CPD-8578-bond5" atomRefs="CPD-8578-atom3 CPD-8578-atom6" order="1"/> <bond id="CPD-8578-bond6" atomRefs="CPD-8578-atom3 CPD-8578-atom7" order="2"/> <bond id="CPD-8578-bond7" atomRefs="CPD-8578-atom5 CPD-8578-atom8" order="1"/> <bond id="CPD-8578-bond8" atomRefs="CPD-8578-atom8 CPD-8578-atom9" order="1"/> <bond id="CPD-8578-bond9" atomRefs="CPD-8578-atom9 CPD-8578-atom10" order="1"/> <bond id="CPD-8578-bond10" atomRefs="CPD-8578-atom4 CPD-8578-atom11" order="1"/> <formula concise=""/> C(=O)([O-])C([N+][a histone])CCCC[N+]

biopax-level3ChemicalStructure158857
structure data: <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom1" elementType="C" x2="3770.0" y2="-1885.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom2" elementType="O" x2="5051.0" y2="-2253.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom3" elementType="O" x2="0.0" y2="-3240.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom4" elementType="O" x2="1428.0" y2="-5832.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom5" elementType="O" x2="1428.0" y2="0.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom6" elementType="O" x2="0.0" y2="-766.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom7" elementType="O" x2="2930.0" y2="-884.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom8" elementType="O" x2="1428.0" y2="-3358.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom9" elementType="C" x2="0.0" y2="-2415.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom10" elementType="C" x2="1428.0" y2="-5007.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom11" elementType="N" x2="4285.0" y2="-3358.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom12" elementType="O" x2="4285.0" y2="-5007.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom13" elementType="O" x2="1428.0" y2="-2474.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom14" elementType="O" x2="2857.0" y2="-5007.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom15" elementType="O" x2="2857.0" y2="-2533.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom16" elementType="C" x2="4285.0" y2="-2533.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom17" elementType="C" x2="1428.0" y2="-825.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom18" elementType="C" x2="736.0" y2="-1207.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom19" elementType="C" x2="2165.0" y2="-1266.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GALACTOSAMINY-atom20" elementType="C" x2="2150.0" y…

CHEBI CHEBI:37257
structure data: InChI%3D1S%2FC20H40O2%2Fc1-16%282%299-6-10-17%283%2911-7-12-18%284%2913-8-14-19%285%2915-20%2821%2922%2Fh16-19H%2C6-15H2%2C1-5H3%2C%28H%2C21%2C22%29%2Fp-1

CHEBI CHEBI:60722
structure data: InChI%3D1S%2FC42H75O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41%2845%2949-37-40%2838-51-53%2847%2C48%2950-36-39%2844%2935-43%2952-42%2846%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh11-14%2C17-20%2C39-40%2C43-44H%2C3-10%2C15-16%2C21-38H2%2C1-2H3%2C%28H%2C47%2C48%29%2Fb13-11-%2C14-12-%2C19-17-%2C20-18-

CHEBI CHEBI:53488
structure data: InChI%3D1S%2FC22H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh3-4%2C6-7%2C9-10%2C12-13%2C15-16H%2C2%2C5%2C8%2C11%2C14%2C17-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fb4-3-%2C7-6-%2C10-9-%2C13-12-%2C16-15-

CHEBI CHEBI:15793
structure data: InChI%3D1S%2FC7H7NO3%2Fc8-6-4%287%2810%2911%292-1-3-5%286%299%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29

CHEBI CHEBI:11909
structure data: InChI%3D1S%2FC21H34O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh14-19%2C23H%2C4-12H2%2C1-3H3%2Ft14-%2C15-%2C16-%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure141914
structure data: <atom id="CPD-10699-atom1" elementType="N" x2="4029.0" y2="14763.0" formalCharge="1"/> <atom id="CPD-10699-atom2" elementType="N" x2="12192.0" y2="4446.0"/> <atom id="CPD-10699-atom3" elementType="C" x2="19212.0" y2="8481.0"/> <atom id="CPD-10699-atom4" elementType="N" x2="84794.0" y2="-15079.0"/> <atom id="CPD-10699-atom5" elementType="C" x2="84794.0" y2="-6829.0"/> <atom id="CPD-10699-atom6" elementType="N" x2="91939.0" y2="-2704.0"/> <atom id="CPD-10699-atom7" elementType="C" x2="91939.0" y2="-19204.0"/> <atom id="CPD-10699-atom8" elementType="N" x2="106928.0" y2="-17581.0"/> <atom id="CPD-10699-atom9" elementType="C" x2="99083.0" y2="-15079.0"/> <atom id="CPD-10699-atom10" elementType="C" x2="99049.0" y2="-6840.0"/> <atom id="CPD-10699-atom11" elementType="N" x2="106883.0" y2="-4275.0"/> <atom id="CPD-10699-atom12" elementType="C" x2="111730.0" y2="-10939.0"/> <atom id="CPD-10699-atom13" elementType="N" x2="91852.0" y2="-27454.0"/> <atom id="CPD-10699-atom14" elementType="C" x2="30022.0" y2="16318.0"/> <atom id="CPD-10699-atom15" elementType="C" x2="32572.0" y2="8471.0"/> <atom id="CPD-10699-atom16" elementType="O" x2="25897.0" y2="3621.0"/> <atom id="CPD-10699-atom17" elementType="C" x2="21772.0" y2="16318.0"/> <atom id="CPD-10699-atom18" elementType="C" x2="40472.0" y2="6279.0"/> <atom id="CPD-10699-atom19" elementType="O" x2="17555.0" y2="23422.0"/> <atom id="CPD-10699-atom20" elementType="O" x2="32084.0" y2="24247.0"/> <atom id="CPD-10699-atom21" elementType="O" x2="42581.0" y2="-1696.0"/> <atom id="CPD-10699-atom22" elementType="P" x2="50831.0" y2="-1696.0"/> <atom id="CPD-10699-atom23" elementType="O" x2="50785.0" y2="6554.0"/> <atom id="CPD-10699-atom24" elementType="O" x2="50785.0" y2="-9946.0" formalCharge="-1"/> <atom id="CPD-10699-atom25" elementType="O" x2="59081.0" y2="-1696.0"/> <atom id="CPD-10699-atom26" elementType="P" x2="67331.0" y2="-1696.0"/> <atom id="CPD-10699-atom27" elementType="O" x2="67285.0" y2="-9946.0" formalCharge="-1"/> <atom id="…

biopax-level3ChemicalStructure173870
structure data: <atom id="CPD-3192-atom1" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="CPD-3192-atom2" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3192-atom3" elementType="O" x2="5001.0" y2="-1650.0" formalCharge="-1"/> <atom id="CPD-3192-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3192-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3192-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3192-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3192-atom8" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3192-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3192-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3192-atom11" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3192-atom12" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-3192-atom13" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="CPD-3192-bond1" atomRefs="CPD-3192-atom12 CPD-3192-atom13" order="1"/> <bond id="CPD-3192-bond2" atomRefs="CPD-3192-atom9 CPD-3192-atom12" order="1"/> <bond id="CPD-3192-bond3" atomRefs="CPD-3192-atom8 CPD-3192-atom11" order="1"/> <bond id="CPD-3192-bond4" atomRefs="CPD-3192-atom8 CPD-3192-atom9" order="1"/> <bond id="CPD-3192-bond5" atomRefs="CPD-3192-atom13 CPD-3192-atom7" order="2"/> <bond id="CPD-3192-bond6" atomRefs="CPD-3192-atom7 CPD-3192-atom10" order="1"/> <bond id="CPD-3192-bond7" atomRefs="CPD-3192-atom6 CPD-3192-atom13" order="1"/> <bond id="CPD-3192-bond8" atomRefs="CPD-3192-atom10 CPD-3192-atom5" order="2"/> <bond id="CPD-3192-bond9" atomRefs="CPD-3192-atom4 CPD-3192-atom6" order="2"/> <bond id="CPD-3192-bond10" atomRefs="CPD-3192-atom5 CPD-3192-atom4" order="1"/> <bond id="CPD-3192-bond11" atomRefs="CPD-3192-atom3 CPD-3192-atom11" order="1"/> <bond id="CPD-3192-bond12" atomRefs="CPD-3192-atom2 CPD-3192-atom12" order="2"/> <bond id="CPD-3192-bond13" atomRefs="CPD-3192-atom1 CPD-3192-atom11" order="2"/> <formula concise="H 8 N 1 C 9 O 3"/> 178.167 C1(N=CC=C…

CHEBI CHEBI:57479
structure data: InChI%3D1S%2FC12H12O4%2Fc13-10%289-5-2-1-3-6-9%297-4-8-11%2814%2912%2815%2916%2Fh1-3%2C5-6H%2C4%2C7-8H2%2C%28H%2C15%2C16%29%2Fp-1

CHEBI CHEBI:116314
structure data: InChI%3D1S%2FC18H35NO%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H2%2C19%2C20%29%2Fb10-9-

CHEBI CHEBI:125832
structure data: InChI%3D1S%2FC13H26O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2814%2915%2Fh2-12H2%2C1H3%2C%28H%2C14%2C15%29%2Fp-1

CHEBI CHEBI:58264
structure data: InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2/p+1

CHEBI CHEBI:18280
structure data: InChI%3D1S%2FC8H6O3%2Fc9-7%288%2810%2911%296-4-2-1-3-5-6%2Fh1-5H%2C%28H%2C10%2C11%29

CHEBI CHEBI:22152
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7-

biopax-level3ChemicalStructure166541
structure data: <cml> <molecule id="CPD-8649" title="a protein L-allysine" formalCharge="0" dictRef="dictCPD-8649"> <atomArray> <atom id="CPD-8649-atom1" elementType="O" x2="4.1746e+7" y2="0.0"/> <atom id="CPD-8649-atom2" elementType="Protein" x2="5.2034996e+7" y2="-1.2859e+7"/> <atom id="CPD-8649-atom3" elementType="C" x2="7339000.0" y2="-1.4079e+7"/> <atom id="CPD-8649-atom4" elementType="C" x2="1.4479001e+7" y2="-9959000.0"/> <atom id="CPD-8649-atom5" elementType="C" x2="2.1618e+7" y2="-1.4079e+7"/> <atom id="CPD-8649-atom6" elementType="C" x2="2.8767e+7" y2="-9959000.0"/> <atom id="CPD-8649-atom7" elementType="C" x2="4.1746e+7" y2="-8249000.0"/> <atom id="CPD-8649-atom8" elementType="C" x2="3.5907e+7" y2="-1.4079e+7"/> <atom id="CPD-8649-atom9" elementType="N" x2="3.5907e+7" y2="-2.2328e+7"/> <atom id="CPD-8649-atom10" elementType="Protein" x2="4.6546e+7" y2="-2.8347002e+7"/> <atom id="CPD-8649-atom11" elementType="O" x2="1000.0" y2="-1.0309e+7"/> </atomArray> <bondArray> <bond id="CPD-8649-bond1" atomRefs="CPD-8649-atom7 CPD-8649-atom8" order="1"/> <bond id="CPD-8649-bond2" atomRefs="CPD-8649-atom6 CPD-8649-atom8" order="1"/> <bond id="CPD-8649-bond3" atomRefs="CPD-8649-atom5 CPD-8649-atom6" order="1"/> <bond id="CPD-8649-bond4" atomRefs="CPD-8649-atom4 CPD-8649-atom5" order="1"/> <bond id="CPD-8649-bond5" atomRefs="CPD-8649-atom3 CPD-8649-atom4" order="1"/> <bond id="CPD-8649-bond6" atomRefs="CPD-8649-atom2 CPD-8649-atom7" order="1"/> <bond id="CPD-8649-bond7" atomRefs="CPD-8649-atom1 CPD-8649-atom7" order="1"/> <bond id="CPD-8649-bond8" atomRefs="CPD-8649-atom8 CPD-8649-atom9" order="1"/> <bond id="CPD-8649-bond9" atomRefs="CPD-8649-atom11 CPD-8649-atom3" order="2"/> <bond id="CPD-8649-bond10" atomRefs="CPD-8649-atom9 CPD-8649-atom10" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)CCCC(N[Protein])C(O)[Protein]</string> </molecule> </cml>

CHEBI CHEBI:32366
structure data: InChI%3D1S%2FC17H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2818%2919%2Fh2-16H2%2C1H3%2C%28H%2C18%2C19%29%2Fp-1

biopax-level3ChemicalStructure126995
structure data: <atom id="D-Glucose-atom1" elementType="O" x2="0.0" y2="-2475.0"/> <atom id="D-Glucose-atom2" elementType="O" x2="3683.0" y2="-2475.0"/> <atom id="D-Glucose-atom3" elementType="O" x2="3683.0" y2="-825.0"/> <atom id="D-Glucose-atom4" elementType="O" x2="2254.0" y2="0.0"/> <atom id="D-Glucose-atom5" elementType="O" x2="825.0" y2="-825.0"/> <atom id="D-Glucose-atom6" elementType="C" x2="825.0" y2="-2475.0"/> <atom id="D-Glucose-atom7" elementType="O" x2="2254.0" y2="-2475.0"/> <atom id="D-Glucose-atom8" elementType="C" x2="2968.0" y2="-2062.0"/> <atom id="D-Glucose-atom9" elementType="C" x2="2968.0" y2="-1238.0"/> <atom id="D-Glucose-atom10" elementType="C" x2="2254.0" y2="-825.0"/> <atom id="D-Glucose-atom11" elementType="C" x2="1539.0" y2="-1238.0"/> <atom id="D-Glucose-atom12" elementType="C" x2="1539.0" y2="-2062.0"/> <bond id="D-Glucose-bond1" atomRefs="D-Glucose-atom1 D-Glucose-atom6" order="1"/> <bond id="D-Glucose-bond2" atomRefs="D-Glucose-atom8 D-Glucose-atom2" order="1"/> <bond id="D-Glucose-bond3" atomRefs="D-Glucose-atom9 D-Glucose-atom3" order="1"/> <bond id="D-Glucose-bond4" atomRefs="D-Glucose-atom10 D-Glucose-atom4" order="1"/> <bond id="D-Glucose-bond5" atomRefs="D-Glucose-atom11 D-Glucose-atom5" order="1"/> <bond id="D-Glucose-bond6" atomRefs="D-Glucose-atom12 D-Glucose-atom6" order="1"/> <bond id="D-Glucose-bond7" atomRefs="D-Glucose-atom7 D-Glucose-atom8" order="1"/> <bond id="D-Glucose-bond8" atomRefs="D-Glucose-atom7 D-Glucose-atom12" order="1"/> <bond id="D-Glucose-bond9" atomRefs="D-Glucose-atom8 D-Glucose-atom9" order="1"/> <bond id="D-Glucose-bond10" atomRefs="D-Glucose-atom9 D-Glucose-atom10" order="1"/> <bond id="D-Glucose-bond11" atomRefs="D-Glucose-atom10 D-Glucose-atom11" order="1"/> <bond id="D-Glucose-bond12" atomRefs="D-Glucose-atom11 D-Glucose-atom12" order="1"/> <formula concise="H 12 C 6 O 6"/> 180.157 C(C1(C(C(C(C(O1)O)O)O)O))O

CHEBI CHEBI:32375
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh12-13H%2C2-11%2C14-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb13-12-

CHEBI CHEBI:52421
structure data: InChI%3D1S%2FC26H50O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25%2827%2924-26%2828%2929%2Fh2-24H2%2C1H3%2C%28H%2C28%2C29%29

CHEBI CHEBI:17351
structure data: InChI%3D1S%2FC18H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh6-7%2C9-10H%2C2-5%2C8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fb7-6-%2C10-9-

biopax-level3ChemicalStructure132809
structure data: <cml> <molecule id="Saturated-Fatty-Acyl-CoA" title="a 2,3,4-saturated fatty acyl CoA" formalCharge="-4"> <atomArray> <atom id="Saturated-Fatty-Acyl-CoA-atom1" elementType="O" x2="-22460.0" y2="-625670.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom2" elementType="C" x2="-22460.0" y2="-544460.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom3" elementType="C" x2="67210.0" y2="-492020.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom4" elementType="C" x2="-621110.0" y2="-19120.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom5" elementType="O" x2="-941480.0" y2="-208710.0" formalCharge="-1"/> <atom id="Saturated-Fatty-Acyl-CoA-atom6" elementType="O" x2="-596180.0" y2="125750.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom7" elementType="O" x2="-805460.0" y2="-358160.0" formalCharge="-1"/> <atom id="Saturated-Fatty-Acyl-CoA-atom8" elementType="N" x2="-543000.0" y2="-45660.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom9" elementType="N" x2="-465890.0" y2="83850.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom10" elementType="O" x2="-909920.0" y2="-93660.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom11" elementType="N" x2="-436060.0" y2="-125560.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom12" elementType="N" x2="-595700.0" y2="-538420.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom13" elementType="O" x2="-857870.0" y2="210920.0" formalCharge="-1"/> <atom id="Saturated-Fatty-Acyl-CoA-atom14" elementType="O" x2="-830330.0" y2="-244170.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom15" elementType="C" x2="-728050.0" y2="60760.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom16" elementType="C" x2="-810100.0" y2="-497480.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom17" elementType="C" x2="-475610.0" y2="1930.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom18" elementType="P" x2="-868170.0" y2="-170860.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom19" elementType="C" x2="-390090.0" y2="116400.0"/> <atom id="Saturated-Fatty-Acyl-CoA-atom20" elementType="O" x2="-688500.0" y2="-66720.0"/> <atom id="Saturated-Fatty-Acyl-CoA-…

biopax-level3ChemicalStructure172259
structure data: <atom id="CPD-13550-atom1" elementType="C" x2="1878.0" y2="2630.0"/> <atom id="CPD-13550-atom2" elementType="C" x2="1878.0" y2="3464.0"/> <atom id="CPD-13550-atom3" elementType="C" x2="2593.0" y2="3885.0"/> <atom id="CPD-13550-atom4" elementType="C" x2="3316.0" y2="3464.0"/> <atom id="CPD-13550-atom5" elementType="C" x2="3316.0" y2="2630.0"/> <atom id="CPD-13550-atom6" elementType="C" x2="2593.0" y2="2218.0"/> <atom id="CPD-13550-atom7" elementType="C" x2="2591.0" y2="1393.0"/> <atom id="CPD-13550-atom8" elementType="C" x2="3720.0" y2="4174.0"/> <atom id="CPD-13550-atom9" elementType="C" x2="4105.0" y2="3675.0"/> <atom id="CPD-13550-atom10" elementType="C" x2="4029.0" y2="2216.0"/> <atom id="CPD-13550-atom11" elementType="C" x2="4745.0" y2="2626.0"/> <atom id="CPD-13550-atom12" elementType="C" x2="5457.0" y2="2211.0"/> <atom id="CPD-13550-atom13" elementType="C" x2="6173.0" y2="2621.0"/> <atom id="CPD-13550-atom14" elementType="C" x2="6886.0" y2="2208.0"/> <atom id="CPD-13550-atom15" elementType="C" x2="7601.0" y2="2618.0"/> <atom id="CPD-13550-atom16" elementType="C" x2="8314.0" y2="2204.0"/> <atom id="CPD-13550-atom17" elementType="C" x2="9030.0" y2="2614.0"/> <atom id="CPD-13550-atom18" elementType="C" x2="5455.0" y2="1387.0"/> <atom id="CPD-13550-atom19" elementType="C" x2="8312.0" y2="1379.0"/> <atom id="CPD-13550-atom20" elementType="C" x2="9032.0" y2="3438.0"/> <atom id="CPD-13550-atom21" elementType="O" x2="8318.0" y2="3850.0"/> <bond id="CPD-13550-bond1" atomRefs="CPD-13550-atom17 CPD-13550-atom20" order="1"/> <bond id="CPD-13550-bond2" atomRefs="CPD-13550-atom16 CPD-13550-atom19" order="1"/> <bond id="CPD-13550-bond3" atomRefs="CPD-13550-atom12 CPD-13550-atom18" order="1"/> <bond id="CPD-13550-bond4" atomRefs="CPD-13550-atom16 CPD-13550-atom17" order="2"/> <bond id="CPD-13550-bond5" atomRefs="CPD-13550-atom15 CPD-13550-atom16" order="1"/> <bond id="CPD-13550-bond6" atomRefs="CPD-13550-atom14 CPD-13550-atom15" order="2"/> <bond id="CPD-13550-bond7" atomRefs…

biopax-level3ChemicalStructure147607
structure data: <cml> <molecule id="Serines" title="(L) or (D)-serine" formalCharge="0" dictRef="dictSerines"> <atomArray> <atom id="Serines-atom1" elementType="C" x2="-5539.0" y2="-3919.0"/> <atom id="Serines-atom2" elementType="O" x2="-4714.0" y2="-3919.0" formalCharge="-1"/> <atom id="Serines-atom3" elementType="O" x2="-5952.0" y2="-4633.0"/> <atom id="Serines-atom4" elementType="C" x2="-6254.0" y2="-3506.0"/> <atom id="Serines-atom5" elementType="N" x2="-7079.0" y2="-3506.0" formalCharge="1"/> <atom id="Serines-atom6" elementType="C" x2="-5670.0" y2="-2923.0"/> <atom id="Serines-atom7" elementType="O" x2="-4845.0" y2="-2923.0"/> </atomArray> <bondArray> <bond id="Serines-bond1" atomRefs="Serines-atom1 Serines-atom2" order="1"/> <bond id="Serines-bond2" atomRefs="Serines-atom1 Serines-atom3" order="2"/> <bond id="Serines-bond3" atomRefs="Serines-atom1 Serines-atom4" order="1"/> <bond id="Serines-bond4" atomRefs="Serines-atom4 Serines-atom5" order="1"/> <bond id="Serines-bond5" atomRefs="Serines-atom4 Serines-atom6" order="1"/> <bond id="Serines-bond6" atomRefs="Serines-atom6 Serines-atom7" order="1"/> </bondArray> <formula concise="H 7 N 1 O 3 C 3"/> <string title="smiles">C(C(CO)[N+])(=O)[O-]</string> </molecule> </cml>

biopax-level3ChemicalStructure134175
structure data: <cml> <molecule id="TRANS-D2-ENOYL-COA" title="a trans-2-enoyl-CoA" formalCharge="-4" dictRef="dictTRANS-D2-ENOYL-COA"> <atomArray> <atom id="TRANS-D2-ENOYL-COA-atom1" elementType="O" x2="337.0" y2="-54029.0"/> <atom id="TRANS-D2-ENOYL-COA-atom2" elementType="C" x2="21207.0" y2="-40732.0"/> <atom id="TRANS-D2-ENOYL-COA-atom3" elementType="C" x2="7405.0" y2="-40058.0"/> <atom id="TRANS-D2-ENOYL-COA-atom4" elementType="C" x2="337.0" y2="-45108.0"/> <atom id="TRANS-D2-ENOYL-COA-atom5" elementType="C" x2="13971.0" y2="-44604.0"/> <atom id="TRANS-D2-ENOYL-COA-atom6" elementType="R" x2="28351.0" y2="-44857.0"/> <atom id="TRANS-D2-ENOYL-COA-atom7" elementType="S" x2="-6766.0" y2="-40061.0"/> <atom id="TRANS-D2-ENOYL-COA-atom8" elementType="C" x2="-21110.0" y2="-31115.0"/> <atom id="TRANS-D2-ENOYL-COA-atom9" elementType="N" x2="-24684.0" y2="-38550.0"/> <atom id="TRANS-D2-ENOYL-COA-atom10" elementType="C" x2="-32911.0" y2="-39172.0"/> <atom id="TRANS-D2-ENOYL-COA-atom11" elementType="O" x2="-37563.0" y2="-32359.0"/> <atom id="TRANS-D2-ENOYL-COA-atom12" elementType="C" x2="-36485.0" y2="-46608.0"/> <atom id="TRANS-D2-ENOYL-COA-atom13" elementType="C" x2="-44713.0" y2="-47230.0"/> <atom id="TRANS-D2-ENOYL-COA-atom14" elementType="N" x2="-48287.0" y2="-54667.0"/> <atom id="TRANS-D2-ENOYL-COA-atom15" elementType="C" x2="-56513.0" y2="-55290.0"/> <atom id="TRANS-D2-ENOYL-COA-atom16" elementType="O" x2="-61164.0" y2="-48476.0"/> <atom id="TRANS-D2-ENOYL-COA-atom17" elementType="C" x2="-60086.0" y2="-62725.0"/> <atom id="TRANS-D2-ENOYL-COA-atom18" elementType="O" x2="-55435.0" y2="-69537.0"/> <atom id="TRANS-D2-ENOYL-COA-atom19" elementType="C" x2="-68313.0" y2="-63347.0"/> <atom id="TRANS-D2-ENOYL-COA-atom20" elementType="C" x2="-67691.0" y2="-71574.0"/> <atom id="TRANS-D2-ENOYL-COA-atom21" elementType="C" x2="-68936.0" y2="-55121.0"/> <atom id="TRANS-D2-ENOYL-COA-atom22" elementType="C" x2="-76540.0" y2="-63970.0"/> <atom id="TRANS-D2-ENOYL-COA-atom23" elementType="O" x2="-80114…

biopax-level3ChemicalStructure148762
structure data: <atom id="CPD-201-atom1" elementType="N" x2="-29790.0" y2="-111360.0"/> <atom id="CPD-201-atom2" elementType="C" x2="-29790.0" y2="-27960.0"/> <atom id="CPD-201-atom3" elementType="N" x2="41650.0" y2="14210.0"/> <atom id="CPD-201-atom4" elementType="C" x2="41650.0" y2="-152600.0"/> <atom id="CPD-201-atom5" elementType="C" x2="114000.0" y2="-111360.0"/> <atom id="CPD-201-atom6" elementType="C" x2="114000.0" y2="-27960.0"/> <atom id="CPD-201-atom7" elementType="C" x2="258380.0" y2="-111360.0"/> <atom id="CPD-201-atom8" elementType="N" x2="186180.0" y2="-153320.0"/> <atom id="CPD-201-atom9" elementType="N" x2="41420.0" y2="-235090.0"/> <atom id="CPD-201-atom10" elementType="N" x2="258200.0" y2="-27960.0"/> <atom id="CPD-201-atom11" elementType="O" x2="155770.0" y2="66020.0"/> <atom id="CPD-201-atom12" elementType="O" x2="-101420.0" y2="143200.0"/> <atom id="CPD-201-atom13" elementType="C" x2="223990.0" y2="115350.0"/> <atom id="CPD-201-atom14" elementType="C" x2="199010.0" y2="192850.0"/> <atom id="CPD-201-atom15" elementType="C" x2="114810.0" y2="192850.0"/> <atom id="CPD-201-atom16" elementType="C" x2="88630.0" y2="114140.0"/> <atom id="CPD-201-atom17" elementType="C" x2="11380.0" y2="89860.0"/> <atom id="CPD-201-atom18" elementType="P" x2="-233030.0" y2="144700.0"/> <atom id="CPD-201-atom19" elementType="O" x2="-232440.0" y2="61310.0" formalCharge="-1"/> <atom id="CPD-201-atom20" elementType="O" x2="-315980.0" y2="143280.0"/> <atom id="CPD-201-atom21" elementType="O" x2="-233140.0" y2="319300.0"/> <atom id="CPD-201-atom22" elementType="O" x2="-146710.0" y2="485790.0"/> <atom id="CPD-201-atom23" elementType="P" x2="-232560.0" y2="487490.0"/> <atom id="CPD-201-atom24" elementType="O" x2="-315500.0" y2="486070.0"/> <atom id="CPD-201-atom25" elementType="O" x2="-234050.0" y2="585100.0" formalCharge="-1"/> <atom id="CPD-201-atom26" elementType="C" x2="-75560.0" y2="444700.0"/> <atom id="CPD-201-atom27" elementType="C" x2="-4120.0" y2="485940.0"/> <atom id="CPD-201-atom28…

biopax-level3ChemicalStructure160290
structure data: <atom id="CPD-12016-atom1" elementType="C" x2="6.4003e+7" y2="-1.3211e+7"/> <atom id="CPD-12016-atom2" elementType="O" x2="7.0904e+7" y2="-2.5560998e+7"/> <atom id="CPD-12016-atom3" elementType="O" x2="0.0" y2="-2.5071002e+7"/> <atom id="CPD-12016-atom4" elementType="C" x2="7080000.0" y2="-1.2731e+7"/> <atom id="CPD-12016-atom5" elementType="C" x2="1.4151e+7" y2="-8550000.0"/> <atom id="CPD-12016-atom6" elementType="C" x2="1.4151e+7" y2="-2.5071002e+7"/> <atom id="CPD-12016-atom7" elementType="C" x2="3.5612e+7" y2="-1.2731e+7"/> <atom id="CPD-12016-atom8" elementType="C" x2="4.9743e+7" y2="-2.1181e+7"/> <atom id="CPD-12016-atom9" elementType="C" x2="4.2612e+7" y2="-2.5161e+7"/> <atom id="CPD-12016-atom10" elementType="N" x2="5.6763e+7" y2="-2.5361e+7"/> <atom id="CPD-12016-atom11" elementType="C" x2="6.3893e+7" y2="-2.1381e+7"/> <atom id="CPD-12016-atom12" elementType="C" x2="7080000.0" y2="-2.0991002e+7"/> <atom id="CPD-12016-atom13" elementType="C" x2="3.5612e+7" y2="-2.0991002e+7"/> <atom id="CPD-12016-atom14" elementType="C" x2="2.1321002e+7" y2="-2.0991002e+7"/> <atom id="CPD-12016-atom15" elementType="C" x2="2.1321002e+7" y2="-1.2731e+7"/> <atom id="CPD-12016-atom16" elementType="N" x2="2.8462e+7" y2="-8570000.0"/> <atom id="CPD-12016-atom17" elementType="C" x2="-7141000.0" y2="-2.0941e+7"/> <atom id="CPD-12016-atom18" elementType="O" x2="-1.4286e+7" y2="-2.5066e+7"/> <atom id="CPD-12016-atom19" elementType="C" x2="-2.1431e+7" y2="-2.0941e+7"/> <atom id="CPD-12016-atom20" elementType="C" x2="-2.1431e+7" y2="-1.2690001e+7"/> <atom id="CPD-12016-atom21" elementType="C" x2="-1.4286e+7" y2="-8565000.0"/> <atom id="CPD-12016-atom22" elementType="C" x2="-7141000.0" y2="-1.2690001e+7"/> <atom id="CPD-12016-atom23" elementType="O" x2="3000.0" y2="-8565000.0"/> <atom id="CPD-12016-atom24" elementType="O" x2="-1.4286e+7" y2="-315000.0"/> <atom id="CPD-12016-atom25" elementType="O" x2="-2.8575e+7" y2="-8565000.0"/> <atom id="CPD-12016-atom26" elementType="C" x2="-2.8575e…

biopax-level3ChemicalStructure171884
structure data: <atom id="CPD-4581-atom1" elementType="C" x2="8882.0" y2="-2834.0"/> <atom id="CPD-4581-atom2" elementType="C" x2="7820.0" y2="-1878.0"/> <atom id="CPD-4581-atom3" elementType="C" x2="4805.0" y2="-4159.0"/> <atom id="CPD-4581-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CPD-4581-atom5" elementType="C" x2="4404.0" y2="-3326.0"/> <atom id="CPD-4581-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CPD-4581-atom7" elementType="C" x2="7523.0" y2="-3276.0"/> <atom id="CPD-4581-atom8" elementType="C" x2="6716.0" y2="-3104.0"/> <atom id="CPD-4581-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-4581-atom10" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-4581-atom11" elementType="C" x2="2889.0" y2="-2506.0"/> <atom id="CPD-4581-atom12" elementType="C" x2="6164.0" y2="-3717.0"/> <atom id="CPD-4581-atom13" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CPD-4581-atom14" elementType="C" x2="5102.0" y2="-1427.0"/> <atom id="CPD-4581-atom15" elementType="C" x2="5587.0" y2="-2094.0"/> <atom id="CPD-4581-atom16" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-4581-atom17" elementType="C" x2="3603.0" y2="-2919.0"/> <atom id="CPD-4581-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-4581-atom19" elementType="C" x2="8075.0" y2="-2662.0"/> <atom id="CPD-4581-atom20" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-4581-atom21" elementType="C" x2="3603.0" y2="-1269.0"/> <atom id="CPD-4581-atom22" elementType="C" x2="2889.0" y2="-1681.0"/> <atom id="CPD-4581-atom23" elementType="C" x2="5357.0" y2="-3546.0"/> <atom id="CPD-4581-atom24" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-4581-atom25" elementType="C" x2="4318.0" y2="-1681.0"/> <atom id="CPD-4581-atom26" elementType="C" x2="5102.0" y2="-2761.0"/> <atom id="CPD-4581-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-4581-atom28" elementType="C" x2="4318.0" y2="-2506.0"/> <bond id="CPD-4581-bond1" atomRefs="CPD-4581-atom26 CPD-4581-atom28" …

biopax-level3ChemicalStructure164086
structure data: <atom id="CPD-11875-atom1" elementType="C" x2="-4125.0" y2="-5598.0"/> <atom id="CPD-11875-atom2" elementType="C" x2="-11270.0" y2="-1473.0"/> <atom id="CPD-11875-atom3" elementType="C" x2="-11270.0" y2="6777.0"/> <atom id="CPD-11875-atom4" elementType="C" x2="-4125.0" y2="10902.0"/> <atom id="CPD-11875-atom5" elementType="C" x2="3020.0" y2="6777.0"/> <atom id="CPD-11875-atom6" elementType="C" x2="3020.0" y2="-1473.0"/> <atom id="CPD-11875-atom7" elementType="C" x2="-4125.0" y2="-13848.0"/> <atom id="CPD-11875-atom8" elementType="C" x2="3020.0" y2="-17973.0"/> <atom id="CPD-11875-atom9" elementType="O" x2="-11270.0" y2="-17973.0"/> <atom id="CPD-11875-atom10" elementType="N" x2="3020.0" y2="-26223.0"/> <atom id="CPD-11875-atom11" elementType="O" x2="-4125.0" y2="19152.0"/> <atom id="CPD-11875-atom12" elementType="O" x2="-18414.0" y2="10902.0"/> <atom id="CPD-11875-atom13" elementType="C" x2="-25922.0" y2="7481.0"/> <bond id="CPD-11875-bond1" atomRefs="CPD-11875-atom1 CPD-11875-atom2" order="2"/> <bond id="CPD-11875-bond2" atomRefs="CPD-11875-atom2 CPD-11875-atom3" order="1"/> <bond id="CPD-11875-bond3" atomRefs="CPD-11875-atom3 CPD-11875-atom4" order="2"/> <bond id="CPD-11875-bond4" atomRefs="CPD-11875-atom4 CPD-11875-atom5" order="1"/> <bond id="CPD-11875-bond5" atomRefs="CPD-11875-atom5 CPD-11875-atom6" order="2"/> <bond id="CPD-11875-bond6" atomRefs="CPD-11875-atom1 CPD-11875-atom6" order="1"/> <bond id="CPD-11875-bond7" atomRefs="CPD-11875-atom1 CPD-11875-atom7" order="1"/> <bond id="CPD-11875-bond8" atomRefs="CPD-11875-atom7 CPD-11875-atom8" order="1"/> <bond id="CPD-11875-bond9" atomRefs="CPD-11875-atom7 CPD-11875-atom9" order="1"/> <bond id="CPD-11875-bond10" atomRefs="CPD-11875-atom8 CPD-11875-atom10" order="1"/> <bond id="CPD-11875-bond11" atomRefs="CPD-11875-atom4 CPD-11875-atom11" order="1"/> <bond id="CPD-11875-bond12" atomRefs="CPD-11875-atom3 CPD-11875-atom12" order="1"/> <bond id="CPD-11875-bond13" atomRefs="CPD-11875-atom12 CPD-11875-atom13" order="1…

biopax-level3ChemicalStructure131933
structure data: <atom id="10-FORMYL-THF-atom1" elementType="N" x2="626.0" y2="0.0"/> <atom id="10-FORMYL-THF-atom2" elementType="O" x2="41476.0" y2="-47782.0"/> <atom id="10-FORMYL-THF-atom3" elementType="O" x2="91323.0" y2="-58694.0"/> <atom id="10-FORMYL-THF-atom4" elementType="O" x2="89852.0" y2="-16074.0"/> <atom id="10-FORMYL-THF-atom5" elementType="O" x2="74217.0" y2="-17550.0"/> <atom id="10-FORMYL-THF-atom6" elementType="O" x2="14341.0" y2="-25659.0"/> <atom id="10-FORMYL-THF-atom7" elementType="O" x2="103711.0" y2="-51173.0" formalCharge="-1"/> <atom id="10-FORMYL-THF-atom8" elementType="O" x2="102679.0" y2="-23300.0" formalCharge="-1"/> <atom id="10-FORMYL-THF-atom9" elementType="C" x2="37497.0" y2="-40112.0"/> <atom id="10-FORMYL-THF-atom10" elementType="C" x2="62717.0" y2="-38197.0"/> <atom id="10-FORMYL-THF-atom11" elementType="C" x2="62717.0" y2="-23888.0"/> <atom id="10-FORMYL-THF-atom12" elementType="C" x2="54159.0" y2="-38197.0"/> <atom id="10-FORMYL-THF-atom13" elementType="C" x2="54603.0" y2="-23888.0"/> <atom id="10-FORMYL-THF-atom14" elementType="C" x2="90884.0" y2="-44241.0"/> <atom id="10-FORMYL-THF-atom15" elementType="C" x2="94570.0" y2="-37459.0"/> <atom id="10-FORMYL-THF-atom16" elementType="C" x2="36020.0" y2="-5161.0"/> <atom id="10-FORMYL-THF-atom17" elementType="C" x2="40888.0" y2="-21530.0"/> <atom id="10-FORMYL-THF-atom18" elementType="N" x2="14341.0" y2="-883.0"/> <atom id="10-FORMYL-THF-atom19" elementType="N" x2="29088.0" y2="-883.0"/> <atom id="10-FORMYL-THF-atom20" elementType="N" x2="82625.0" y2="-30821.0"/> <atom id="10-FORMYL-THF-atom21" elementType="N" x2="29088.0" y2="-17250.0"/> <atom id="10-FORMYL-THF-atom22" elementType="C" x2="95308.0" y2="-51173.0"/> <atom id="10-FORMYL-THF-atom23" elementType="C" x2="94275.0" y2="-23300.0"/> <atom id="10-FORMYL-THF-atom24" elementType="C" x2="74217.0" y2="-26103.0"/> <atom id="10-FORMYL-THF-atom25" elementType="C" x2="7409.0" y2="-5161.0"/> <atom id="10-FORMYL-THF-atom26" elementType="C" x2="66696.0"…

CHEBI CHEBI:28125
structure data: InChI%3D1S%2FC22H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh3-4%2C6-7%2C9-10%2C12-13%2C15-16%2C18-19H%2C2%2C5%2C8%2C11%2C14%2C17%2C20-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fb4-3-%2C7-6-%2C10-9-%2C13-12-%2C16-15-%2C19-18-

CHEBI CHEBI:53157
structure data: InChI%3D1S%2FC35H46O%2Fc1-28%2817-11-19-30%283%2920-13-22-32%285%2927-36%2915-9-10-16-29%282%2918-12-21-31%284%2924-25-34-33%286%2923-14-26-35%2834%2C7%298%2Fh9-13%2C15-22%2C24-25%2C27H%2C14%2C23%2C26H2%2C1-8H3%2Fb10-9%2B%2C17-11%2B%2C18-12%2B%2C20-13%2B%2C25-24%2B%2C28-15%2B%2C29-16%2B%2C30-19%2B%2C31-21%2B%2C32-22%2B

CHEBI CHEBI:15761
structure data: InChI%3D1S%2FC6H8N%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3%2Fq%2B1

biopax-level3ChemicalStructure148420
structure data: <atom id="CPD-548-atom1" elementType="C" x2="783250.0" y2="-139330.0"/> <atom id="CPD-548-atom2" elementType="C" x2="854700.0" y2="-98080.0"/> <atom id="CPD-548-atom3" elementType="C" x2="926150.0" y2="-139330.0"/> <atom id="CPD-548-atom4" elementType="C" x2="997600.0" y2="-98080.0"/> <atom id="CPD-548-atom5" elementType="N" x2="1069050.0" y2="-139330.0"/> <atom id="CPD-548-atom6" elementType="O" x2="997600.0" y2="-15580.0"/> <atom id="CPD-548-atom7" elementType="C" x2="1140490.0" y2="-98080.0"/> <atom id="CPD-548-atom8" elementType="C" x2="1211940.0" y2="-139330.0"/> <atom id="CPD-548-atom9" elementType="C" x2="1141870.0" y2="-450.0"/> <atom id="CPD-548-atom10" elementType="S" x2="1062630.0" y2="45380.0"/> <atom id="CPD-548-atom11" elementType="O" x2="1211940.0" y2="-221830.0"/> <atom id="CPD-548-atom12" elementType="N" x2="1297150.0" y2="-78830.0"/> <atom id="CPD-548-atom13" elementType="C" x2="1377770.0" y2="-149870.0"/> <atom id="CPD-548-atom14" elementType="N" x2="783250.0" y2="-221830.0" formalCharge="1"/> <atom id="CPD-548-atom15" elementType="C" x2="711800.0" y2="-98080.0"/> <atom id="CPD-548-atom16" elementType="O" x2="640500.0" y2="-139560.0" formalCharge="-1"/> <atom id="CPD-548-atom17" elementType="O" x2="712080.0" y2="-15570.0"/> <atom id="CPD-548-atom18" elementType="C" x2="1449220.0" y2="-108620.0"/> <atom id="CPD-548-atom19" elementType="O" x2="1448940.0" y2="-26130.0" formalCharge="-1"/> <atom id="CPD-548-atom20" elementType="O" x2="1520540.0" y2="-150110.0"/> <atom id="CPD-548-atom21" elementType="C" x2="1062690.0" y2="127880.0"/> <atom id="CPD-548-atom22" elementType="O" x2="991280.0" y2="169180.0"/> <bond id="CPD-548-bond1" atomRefs="CPD-548-atom21 CPD-548-atom22" order="2"/> <bond id="CPD-548-bond2" atomRefs="CPD-548-atom10 CPD-548-atom21" order="1"/> <bond id="CPD-548-bond3" atomRefs="CPD-548-atom13 CPD-548-atom18" order="1"/> <bond id="CPD-548-bond4" atomRefs="CPD-548-atom18 CPD-548-atom20" order="2"/> <bond id="CPD-548-bond5" atomRefs="CPD-54…

CHEBI CHEBI:58336
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-2-3%288%294%289%295%2810%296%2814-2%2915-16%2811%2C12%2913%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure143023
structure data: <cml> <molecule id="ALPHA_ACETYLGLUCOSAMINIDES" title="an N-acetyl-alpha-D-glucosaminide" formalCharge="0" dictRef="dictALPHA_ACETYLGLUCOSAMINIDES"> <atomArray> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom1" elementType="C" x2="3572.0" y2="0.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom2" elementType="O" x2="2143.0" y2="0.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom3" elementType="O" x2="0.0" y2="-3712.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom4" elementType="O" x2="2858.0" y2="-2888.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom5" elementType="O" x2="0.0" y2="-1238.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom6" elementType="O" x2="1429.0" y2="-412.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom7" elementType="C" x2="0.0" y2="-2888.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom8" elementType="N" x2="2858.0" y2="-1238.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom9" elementType="O" x2="1429.0" y2="-2888.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom10" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom11" elementType="C" x2="2143.0" y2="-2475.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom12" elementType="C" x2="714.0" y2="-2475.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom13" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom14" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom15" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="ALPHA_ACETYLGLUCOSAMINIDES-atom16" elementType="R" x2="3683.0" y2="-2888.0"/> </atomArray> <bondArray> <bond id="ALPHA_ACETYLGLUCOSAMINIDES-bond1" atomRefs="ALPHA_ACETYLGLUCOSAMINIDES-atom14 ALPHA_ACETYLGLUCOSAMINIDES-atom15" order="1"/> <bond id="ALPHA_ACETYLGLUCOSAMINIDES-bond2" atomRefs="ALPHA_ACETYLGLUCOSAMINIDES-atom13 ALPHA_ACETYLGLUCOSAMINIDES-atom14" order="1"/> <bond id="ALPHA_ACETYLGLUCOSAMINIDES-bond3" atomRefs="ALPHA_ACETYLGLUCOSAMINIDES-atom12 ALPHA_ACETYLGLUCOSAMINIDES-atom13" order="1"/> <bond id="ALPHA_ACETYLGLUCOSAMI…

biopax-level3ChemicalStructure142813
structure data: <cml> <molecule id="Beta-D-Glucuronides" title="a beta-D-glucuronoside" formalCharge="-1" dictRef="dictBeta-D-Glucuronides"> <atomArray> <atom id="Beta-D-Glucuronides-atom1" elementType="O" x2="0.0" y2="-2062.0"/> <atom id="Beta-D-Glucuronides-atom2" elementType="O" x2="714.0" y2="-3300.0" formalCharge="-1"/> <atom id="Beta-D-Glucuronides-atom3" elementType="O" x2="2143.0" y2="0.0"/> <atom id="Beta-D-Glucuronides-atom4" elementType="O" x2="3572.0" y2="-825.0"/> <atom id="Beta-D-Glucuronides-atom5" elementType="O" x2="714.0" y2="-825.0"/> <atom id="Beta-D-Glucuronides-atom6" elementType="R" x2="4287.0" y2="-2062.0"/> <atom id="Beta-D-Glucuronides-atom7" elementType="O" x2="3572.0" y2="-2475.0"/> <atom id="Beta-D-Glucuronides-atom8" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="Beta-D-Glucuronides-atom9" elementType="C" x2="714.0" y2="-2475.0"/> <atom id="Beta-D-Glucuronides-atom10" elementType="C" x2="2143.0" y2="-825.0"/> <atom id="Beta-D-Glucuronides-atom11" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="Beta-D-Glucuronides-atom12" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="Beta-D-Glucuronides-atom13" elementType="C" x2="2858.0" y2="-2062.0"/> <atom id="Beta-D-Glucuronides-atom14" elementType="C" x2="1429.0" y2="-2062.0"/> </atomArray> <bondArray> <bond id="Beta-D-Glucuronides-bond1" atomRefs="Beta-D-Glucuronides-atom12 Beta-D-Glucuronides-atom14" order="1"/> <bond id="Beta-D-Glucuronides-bond2" atomRefs="Beta-D-Glucuronides-atom11 Beta-D-Glucuronides-atom13" order="1"/> <bond id="Beta-D-Glucuronides-bond3" atomRefs="Beta-D-Glucuronides-atom10 Beta-D-Glucuronides-atom12" order="1"/> <bond id="Beta-D-Glucuronides-bond4" atomRefs="Beta-D-Glucuronides-atom10 Beta-D-Glucuronides-atom11" order="1"/> <bond id="Beta-D-Glucuronides-bond5" atomRefs="Beta-D-Glucuronides-atom14 Beta-D-Glucuronides-atom9" order="1"/> <bond id="Beta-D-Glucuronides-bond6" atomRefs="Beta-D-Glucuronides-atom8 Beta-D-Glucuronides-atom14" order="1"/> <bond id="Beta-D-Glucuroni…

biopax-level3ChemicalStructure159651
structure data: <cml> <molecule id="5-CHLOROFORMYCIN" title="5'-chloroformycin" formalCharge="0" dictRef="dict5-CHLOROFORMYCIN"> <atomArray> <atom id="5-CHLOROFORMYCIN-atom1" elementType="C" x2="55381.0" y2="6015.0"/> <atom id="5-CHLOROFORMYCIN-atom2" elementType="C" x2="69671.0" y2="6015.0"/> <atom id="5-CHLOROFORMYCIN-atom3" elementType="C" x2="69671.0" y2="-2236.0"/> <atom id="5-CHLOROFORMYCIN-atom4" elementType="N" x2="77516.0" y2="-4785.0"/> <atom id="5-CHLOROFORMYCIN-atom5" elementType="N" x2="82365.0" y2="1890.0"/> <atom id="5-CHLOROFORMYCIN-atom6" elementType="N" x2="62526.0" y2="10140.0"/> <atom id="5-CHLOROFORMYCIN-atom7" elementType="N" x2="55381.0" y2="-2236.0"/> <atom id="5-CHLOROFORMYCIN-atom8" elementType="C" x2="62526.0" y2="-6361.0"/> <atom id="5-CHLOROFORMYCIN-atom9" elementType="N" x2="62526.0" y2="-14611.0"/> <atom id="5-CHLOROFORMYCIN-atom10" elementType="C" x2="77516.0" y2="8564.0"/> <atom id="5-CHLOROFORMYCIN-atom11" elementType="C" x2="79651.0" y2="16532.0"/> <atom id="5-CHLOROFORMYCIN-atom12" elementType="O" x2="74645.0" y2="23088.0"/> <atom id="5-CHLOROFORMYCIN-atom13" elementType="C" x2="79332.0" y2="29877.0"/> <atom id="5-CHLOROFORMYCIN-atom14" elementType="C" x2="87237.0" y2="27516.0"/> <atom id="5-CHLOROFORMYCIN-atom15" elementType="O" x2="94382.0" y2="31641.0"/> <atom id="5-CHLOROFORMYCIN-atom16" elementType="C" x2="87434.0" y2="19268.0"/> <atom id="5-CHLOROFORMYCIN-atom17" elementType="O" x2="94579.0" y2="15143.0"/> <atom id="5-CHLOROFORMYCIN-atom18" elementType="C" x2="77197.0" y2="37846.0"/> <atom id="5-CHLOROFORMYCIN-atom19" elementType="O" x2="69229.0" y2="39982.0"/> <atom id="5-CHLOROFORMYCIN-atom20" elementType="CL" x2="48236.0" y2="10140.0"/> </atomArray> <bondArray> <bond id="5-CHLOROFORMYCIN-bond1" atomRefs="5-CHLOROFORMYCIN-atom7 5-CHLOROFORMYCIN-atom1" order="2"/> <bond id="5-CHLOROFORMYCIN-bond2" atomRefs="5-CHLOROFORMYCIN-atom1 5-CHLOROFORMYCIN-atom6" order="1"/> <bond id="5-CHLOROFORMYCIN-bond3" atomRefs="5-CHLOROFORMYCIN-atom6 5-CHLORO…

CHEBI CHEBI:17868
structure data: InChI%3D1S%2FC19H37O7P%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19%2821%2925-16-18%2820%2917-26-27%2822%2C23%2924%2Fh2-17H2%2C1H3%2C%28H2%2C22%2C23%2C24%29

CHEBI CHEBI:8337
structure data: InChI%3D1S%2FC20H14N4%2Fc1-2-14-10-16-5-6-18%2823-16%2912-20-8-7-19%2824-20%2911-17-4-3-15%2822-17%299-13%281%2921-14%2Fh1-12%2C21%2C24H%2Fb13-9-%2C14-10-%2C15-9-%2C16-10-%2C17-11-%2C18-12-%2C19-11-%2C20-12-

biopax-level3ChemicalStructure133255
structure data: <atom id="tRNA-uridine-38-40-atom1" elementType="C" x2="1629.0" y2="1374.0"/> <atom id="tRNA-uridine-38-40-atom2" elementType="C" x2="1712.0" y2="1374.0"/> <atom id="tRNA-uridine-38-40-atom3" elementType="C" x2="1737.0" y2="1295.0"/> <atom id="tRNA-uridine-38-40-atom4" elementType="C" x2="1671.0" y2="1246.0"/> <atom id="tRNA-uridine-38-40-atom5" elementType="O" x2="1605.0" y2="1295.0"/> <atom id="tRNA-uridine-38-40-atom6" elementType="O" x2="1757.0" y2="1423.0"/> <atom id="tRNA-uridine-38-40-atom7" elementType="C" x2="1559.0" y2="1415.0"/> <atom id="tRNA-uridine-38-40-atom8" elementType="O" x2="1477.0" y2="1415.0"/> <atom id="tRNA-uridine-38-40-atom9" elementType="P" x2="1394.0" y2="1415.0"/> <atom id="tRNA-uridine-38-40-atom10" elementType="O" x2="1394.0" y2="1497.0" formalCharge="-1"/> <atom id="tRNA-uridine-38-40-atom11" elementType="O" x2="1394.0" y2="1332.0"/> <atom id="tRNA-uridine-38-40-atom12" elementType="O" x2="1795.0" y2="1237.0"/> <atom id="tRNA-uridine-38-40-atom13" elementType="C" x2="1563.0" y2="1031.0"/> <atom id="tRNA-uridine-38-40-atom14" elementType="C" x2="1563.0" y2="1114.0"/> <atom id="tRNA-uridine-38-40-atom15" elementType="N" x2="1635.0" y2="1155.0"/> <atom id="tRNA-uridine-38-40-atom16" elementType="C" x2="1706.0" y2="1114.0"/> <atom id="tRNA-uridine-38-40-atom17" elementType="N" x2="1706.0" y2="1031.0"/> <atom id="tRNA-uridine-38-40-atom18" elementType="C" x2="1635.0" y2="990.0"/> <atom id="tRNA-uridine-38-40-atom19" elementType="O" x2="1778.0" y2="1155.0"/> <atom id="tRNA-uridine-38-40-atom20" elementType="O" x2="1635.0" y2="908.0"/> <atom id="tRNA-uridine-38-40-atom21" elementType="P" x2="1840.0" y2="1423.0"/> <atom id="tRNA-uridine-38-40-atom22" elementType="O" x2="1922.0" y2="1423.0"/> <atom id="tRNA-uridine-38-40-atom23" elementType="O" x2="1840.0" y2="1341.0"/> <atom id="tRNA-uridine-38-40-atom24" elementType="O" x2="1840.0" y2="1506.0" formalCharge="-1"/> <atom id="tRNA-uridine-38-40-atom25" elementType="O" x2="1312.0" y2="1415.0"/> …

CHEBI CHEBI:28976
structure data: InChI%3D1S%2FCH2O3%2Fc2-1%283%294%2Fh%28H2%2C2%2C3%2C4%29

CHEBI CHEBI:60725
structure data: InChI%3D1S%2FC30H59O10P%2Fc1-3-5-7-9-11-13-15-17-19-21-29%2833%2937-25-28%2826-39-41%2835%2C36%2938-24-27%2832%2923-31%2940-30%2834%2922-20-18-16-14-12-10-8-6-4-2%2Fh27-28%2C31-32H%2C3-26H2%2C1-2H3%2C%28H%2C35%2C36%29

CHEBI CHEBI:4110
structure data: InChI%3D1S%2FC9H11NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7H%2C10H2%2C1H3%2Ft7-%2Fm0%2Fs1

CHEBI CHEBI:29138
structure data: InChI%3D1S%2FC2ClF3O%2Fc3-1%287%292%284%2C5%296

CHEBI CHEBI:18664
structure data: InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2%2Ft3-%2Fm1%2Fs1

biopax-level3ChemicalStructure140368
structure data: <atom id="PHMB-atom1" elementType="O" x2="3572.0" y2="-2475.0"/> <atom id="PHMB-atom2" elementType="O" x2="0.0" y2="-412.0"/> <atom id="PHMB-atom3" elementType="O" x2="4287.0" y2="-1238.0" formalCharge="-1"/> <atom id="PHMB-atom4" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="PHMB-atom5" elementType="C" x2="2143.0" y2="0.0"/> <atom id="PHMB-atom6" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="PHMB-atom7" elementType="C" x2="2858.0" y2="-412.0"/> <atom id="PHMB-atom8" elementType="HG" x2="714.0" y2="0.0"/> <atom id="PHMB-atom9" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="PHMB-atom10" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="PHMB-atom11" elementType="C" x2="2858.0" y2="-1238.0"/> <bond id="PHMB-bond1" atomRefs="PHMB-atom9 PHMB-atom11" order="1"/> <bond id="PHMB-bond2" atomRefs="PHMB-atom8 PHMB-atom10" order="1"/> <bond id="PHMB-bond3" atomRefs="PHMB-atom11 PHMB-atom7" order="1"/> <bond id="PHMB-bond4" atomRefs="PHMB-atom6 PHMB-atom11" order="2"/> <bond id="PHMB-bond5" atomRefs="PHMB-atom5 PHMB-atom10" order="1"/> <bond id="PHMB-bond6" atomRefs="PHMB-atom7 PHMB-atom5" order="2"/> <bond id="PHMB-bond7" atomRefs="PHMB-atom10 PHMB-atom4" order="2"/> <bond id="PHMB-bond8" atomRefs="PHMB-atom4 PHMB-atom6" order="1"/> <bond id="PHMB-bond9" atomRefs="PHMB-atom3 PHMB-atom9" order="1"/> <bond id="PHMB-bond10" atomRefs="PHMB-atom2 PHMB-atom8" order="1"/> <bond id="PHMB-bond11" atomRefs="PHMB-atom1 PHMB-atom9" order="2"/> <formula concise="H 5 HG 1 C 7 O 3"/> 337.705 C1(C=C(C=CC=1[Hg]O)C(=O)[O-])

CHEBI CHEBI:60968
structure data: InChI%3D1S%2FC15H26O%2Fc1-10-5-6-12-13%282%2C3%299-14%284%298-7-11%2810%2915%2812%2C14%2916%2Fh10-12%2C16H%2C5-9H2%2C1-4H3%2Ft10-%2C11%2B%2C12%2B%2C14%2B%2C15-%2Fm1%2Fs1

biopax-level3ChemicalStructure147788
structure data: <cml> <molecule id="CPD-624" title="an N-acylneuraminate 9-phosphate" formalCharge="-3" dictRef="dictCPD-624"> <atomArray> <atom id="CPD-624-atom1" elementType="C" x2="-5895.0" y2="-5688.0"/> <atom id="CPD-624-atom2" elementType="C" x2="-5895.0" y2="2563.0"/> <atom id="CPD-624-atom3" elementType="C" x2="1250.0" y2="6688.0"/> <atom id="CPD-624-atom4" elementType="C" x2="8395.0" y2="2563.0"/> <atom id="CPD-624-atom5" elementType="C" x2="8395.0" y2="-5688.0"/> <atom id="CPD-624-atom6" elementType="O" x2="1250.0" y2="-9813.0"/> <atom id="CPD-624-atom7" elementType="C" x2="-13039.0" y2="-9813.0"/> <atom id="CPD-624-atom8" elementType="C" x2="-20182.0" y2="-5687.0"/> <atom id="CPD-624-atom9" elementType="O" x2="1250.0" y2="14938.0"/> <atom id="CPD-624-atom10" elementType="N" x2="-13039.0" y2="6688.0"/> <atom id="CPD-624-atom11" elementType="C" x2="-13039.0" y2="14938.0"/> <atom id="CPD-624-atom12" elementType="R" x2="-20182.0" y2="19061.0"/> <atom id="CPD-624-atom13" elementType="O" x2="-5895.0" y2="19061.0"/> <atom id="CPD-624-atom14" elementType="C" x2="-27327.0" y2="-9812.0"/> <atom id="CPD-624-atom15" elementType="O" x2="-13039.0" y2="-18061.0"/> <atom id="CPD-624-atom16" elementType="O" x2="-20182.0" y2="2563.0"/> <atom id="CPD-624-atom17" elementType="O" x2="-34471.0" y2="-5687.0"/> <atom id="CPD-624-atom18" elementType="O" x2="15539.0" y2="-9813.0"/> <atom id="CPD-624-atom19" elementType="C" x2="15375.0" y2="-1291.0"/> <atom id="CPD-624-atom20" elementType="O" x2="22673.0" y2="-5138.0"/> <atom id="CPD-624-atom21" elementType="O" x2="15058.0" y2="6953.0" formalCharge="-1"/> <atom id="CPD-624-atom22" elementType="P" x2="-42721.0" y2="-5687.0"/> <atom id="CPD-624-atom23" elementType="O" x2="-50971.0" y2="-5687.0" formalCharge="-1"/> <atom id="CPD-624-atom24" elementType="O" x2="-42721.0" y2="-13937.0"/> <atom id="CPD-624-atom25" elementType="O" x2="-42721.0" y2="2563.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="CPD-624-bond1" atomRefs="CPD-624-atom19 CPD-…

CHEBI CHEBI:17710
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%2810%2C2-3-7%294-5%288%299%2Fh7%2C10H%2C2-4H2%2C1H3%2C%28H%2C8%2C9%29%2Ft6-%2Fm1%2Fs1

biopax-level3ChemicalStructure126173
structure data: <cml> <molecule id="Monocarboxylates" title="a monocarboxylate" formalCharge="-1" dictRef="dictMonocarboxylates"> <atomArray> <atom id="Monocarboxylates-atom1" elementType="O" x2="2425.0" y2="-2100.0"/> <atom id="Monocarboxylates-atom2" elementType="O" x2="1212.0" y2="0.0" formalCharge="-1"/> <atom id="Monocarboxylates-atom3" elementType="R" x2="0.0" y2="-2100.0"/> <atom id="Monocarboxylates-atom4" elementType="C" x2="1212.0" y2="-1400.0"/> </atomArray> <bondArray> <bond id="Monocarboxylates-bond1" atomRefs="Monocarboxylates-atom3 Monocarboxylates-atom4" order="1"/> <bond id="Monocarboxylates-bond2" atomRefs="Monocarboxylates-atom2 Monocarboxylates-atom4" order="1"/> <bond id="Monocarboxylates-bond3" atomRefs="Monocarboxylates-atom1 Monocarboxylates-atom4" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([O-])[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure169203
structure data: <atom id="CPD-2743-atom1" elementType="C" x2="2512.0" y2="-585.0"/> <atom id="CPD-2743-atom2" elementType="O" x2="3618.0" y2="-912.0"/> <atom id="CPD-2743-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-2743-atom4" elementType="C" x2="0.0" y2="-413.0"/> <atom id="CPD-2743-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-2743-atom6" elementType="C" x2="1429.0" y2="-413.0"/> <atom id="CPD-2743-atom7" elementType="C" x2="3037.0" y2="-2642.0"/> <atom id="CPD-2743-atom8" elementType="C" x2="2230.0" y2="-2471.0"/> <atom id="CPD-2743-atom9" elementType="C" x2="3450.0" y2="-1928.0"/> <atom id="CPD-2743-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-2743-atom11" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-2743-atom12" elementType="C" x2="2144.0" y2="-1650.0"/> <atom id="CPD-2743-atom13" elementType="N" x2="2898.0" y2="-1315.0"/> <bond id="CPD-2743-bond1" atomRefs="CPD-2743-atom12 CPD-2743-atom13" order="1"/> <bond id="CPD-2743-bond2" atomRefs="CPD-2743-atom11 CPD-2743-atom12" order="1"/> <bond id="CPD-2743-bond3" atomRefs="CPD-2743-atom9 CPD-2743-atom13" order="1"/> <bond id="CPD-2743-bond4" atomRefs="CPD-2743-atom8 CPD-2743-atom12" order="1"/> <bond id="CPD-2743-bond5" atomRefs="CPD-2743-atom7 CPD-2743-atom9" order="1"/> <bond id="CPD-2743-bond6" atomRefs="CPD-2743-atom7 CPD-2743-atom8" order="1"/> <bond id="CPD-2743-bond7" atomRefs="CPD-2743-atom11 CPD-2743-atom6" order="2"/> <bond id="CPD-2743-bond8" atomRefs="CPD-2743-atom6 CPD-2743-atom10" order="1"/> <bond id="CPD-2743-bond9" atomRefs="CPD-2743-atom5 CPD-2743-atom11" order="1"/> <bond id="CPD-2743-bond10" atomRefs="CPD-2743-atom10 CPD-2743-atom4" order="2"/> <bond id="CPD-2743-bond11" atomRefs="CPD-2743-atom3 CPD-2743-atom5" order="2"/> <bond id="CPD-2743-bond12" atomRefs="CPD-2743-atom4 CPD-2743-atom3" order="1"/> <bond id="CPD-2743-bond13" atomRefs="CPD-2743-atom2 CPD-2743-atom13" order="2"/> <bond id="CPD-2743-bond14" atomRefs="CPD-2743-atom1 CPD-2743-atom13" orde…

biopax-level3ChemicalStructure140225
structure data: <atom id="D-GLUCOSAMINE-6-P-atom1" elementType="N" x2="5244.0" y2="-825.0" formalCharge="1"/> <atom id="D-GLUCOSAMINE-6-P-atom2" elementType="O" x2="825.0" y2="-1294.0"/> <atom id="D-GLUCOSAMINE-6-P-atom3" elementType="O" x2="5244.0" y2="-2475.0"/> <atom id="D-GLUCOSAMINE-6-P-atom4" elementType="O" x2="3814.0" y2="0.0"/> <atom id="D-GLUCOSAMINE-6-P-atom5" elementType="O" x2="2385.0" y2="-825.0"/> <atom id="D-GLUCOSAMINE-6-P-atom6" elementType="O" x2="825.0" y2="-2944.0" formalCharge="-1"/> <atom id="D-GLUCOSAMINE-6-P-atom7" elementType="O" x2="0.0" y2="-2101.0" formalCharge="-1"/> <atom id="D-GLUCOSAMINE-6-P-atom8" elementType="C" x2="2385.0" y2="-2475.0"/> <atom id="D-GLUCOSAMINE-6-P-atom9" elementType="O" x2="1649.0" y2="-2102.0"/> <atom id="D-GLUCOSAMINE-6-P-atom10" elementType="O" x2="3814.0" y2="-2475.0"/> <atom id="D-GLUCOSAMINE-6-P-atom11" elementType="C" x2="4529.0" y2="-1238.0"/> <atom id="D-GLUCOSAMINE-6-P-atom12" elementType="C" x2="4529.0" y2="-2062.0"/> <atom id="D-GLUCOSAMINE-6-P-atom13" elementType="C" x2="3814.0" y2="-825.0"/> <atom id="D-GLUCOSAMINE-6-P-atom14" elementType="C" x2="3100.0" y2="-1238.0"/> <atom id="D-GLUCOSAMINE-6-P-atom15" elementType="C" x2="3100.0" y2="-2062.0"/> <atom id="D-GLUCOSAMINE-6-P-atom16" elementType="P" x2="825.0" y2="-2119.0"/> <bond id="D-GLUCOSAMINE-6-P-bond1" atomRefs="D-GLUCOSAMINE-6-P-atom14 D-GLUCOSAMINE-6-P-atom15" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond2" atomRefs="D-GLUCOSAMINE-6-P-atom13 D-GLUCOSAMINE-6-P-atom14" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond3" atomRefs="D-GLUCOSAMINE-6-P-atom11 D-GLUCOSAMINE-6-P-atom13" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond4" atomRefs="D-GLUCOSAMINE-6-P-atom11 D-GLUCOSAMINE-6-P-atom12" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond5" atomRefs="D-GLUCOSAMINE-6-P-atom10 D-GLUCOSAMINE-6-P-atom15" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond6" atomRefs="D-GLUCOSAMINE-6-P-atom10 D-GLUCOSAMINE-6-P-atom12" order="1"/> <bond id="D-GLUCOSAMINE-6-P-bond7" atomRefs="D-GLUCOSAMIN…

biopax-level3ChemicalStructure160577
structure data: <cml> <molecule id="CPD-7188" title="a D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide" formalCharge="0" dictRef="dictCPD-7188"> <atomArray> <atom id="CPD-7188-atom1" elementType="C" x2="37682.0" y2="-14739.0"/> <atom id="CPD-7188-atom2" elementType="C" x2="19475.0" y2="-1859.0"/> <atom id="CPD-7188-atom3" elementType="C" x2="10540.0" y2="-5383.0"/> <atom id="CPD-7188-atom4" elementType="O" x2="16994.0" y2="-1465.0"/> <atom id="CPD-7188-atom5" elementType="O" x2="9273.0" y2="-3437.0"/> <atom id="CPD-7188-atom6" elementType="O" x2="20716.0" y2="-18093.0"/> <atom id="CPD-7188-atom7" elementType="O" x2="13444.0" y2="-3437.0"/> <atom id="CPD-7188-atom8" elementType="O" x2="19475.0" y2="-10146.0"/> <atom id="CPD-7188-atom9" elementType="O" x2="0.0" y2="-3128.0"/> <atom id="CPD-7188-atom10" elementType="O" x2="2029.0" y2="-7665.0"/> <atom id="CPD-7188-atom11" elementType="O" x2="11132.0" y2="-13330.0"/> <atom id="CPD-7188-atom12" elementType="O" x2="6820.0" y2="-10089.0"/> <atom id="CPD-7188-atom13" elementType="O" x2="12120.0" y2="-4312.0"/> <atom id="CPD-7188-atom14" elementType="O" x2="20716.0" y2="-12738.0"/> <atom id="CPD-7188-atom15" elementType="O" x2="16939.0" y2="-8736.0"/> <atom id="CPD-7188-atom16" elementType="O" x2="15699.0" y2="-2451.0"/> <atom id="CPD-7188-atom17" elementType="O" x2="3298.0" y2="0.0"/> <atom id="CPD-7188-atom18" elementType="O" x2="958.0" y2="-1380.0"/> <atom id="CPD-7188-atom19" elementType="O" x2="19475.0" y2="-5947.0"/> <atom id="CPD-7188-atom20" elementType="O" x2="5721.0" y2="-1380.0"/> <atom id="CPD-7188-atom21" elementType="O" x2="17333.0" y2="-11920.0"/> <atom id="CPD-7188-atom22" elementType="O" x2="14965.0" y2="-10285.0"/> <atom id="CPD-7188-atom23" elementType="O" x2="3298.0" y2="-5466.0"/> <atom id="CPD-7188-atom24" elementType="O" x2="12823.0" y2="-8624.0"/> <atom id="CPD-7188-atom25" elementType="R" x2="22040.0" y2="-16260.0"/> <atom id="CPD-7188-atom26" elementType="C" x2="23139.0" …

biopax-level3ChemicalStructure165339
structure data: <cml> <molecule id="NADH-P-OR-NOP" title="NAD(P)H" formalCharge="0" dictRef="dictNADH-P-OR-NOP"> <atomArray> <atom id="NADH-P-OR-NOP-atom1" elementType="NAD-P-OR-NOP" x2="-27700.0" y2="884.0"/> <atom id="NADH-P-OR-NOP-atom2" elementType="H" x2="-21308.0" y2="-4331.0"/> </atomArray> <bondArray> <bond id="NADH-P-OR-NOP-bond1" atomRefs="NADH-P-OR-NOP-atom1 NADH-P-OR-NOP-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">[NAD(P)+H]</string> </molecule> </cml>

CHEBI CHEBI:31731
structure data: InChI%3D1S%2FC25H44O5%2Fc1-4-5-6-7-10-13-20%2826%2916-17-22-21%2823%2827%2918-24%2822%2928%2914-11-8-9-12-15-25%2829%2930-19%282%293%2Fh8%2C11%2C19%2C21-24%2C27-28H%2C4-7%2C9-10%2C12-18H2%2C1-3H3%2Fb11-8-%2Ft21-%2C22-%2C23%2B%2C24-%2Fm1%2Fs1

CHEBI CHEBI:57955
structure data: InChI%3D1S%2FC6H11O9P%2Fc7-3-2%281-14-16%2811%2C12%2913%2915-6%2810%295%289%294%283%298%2Fh2-5%2C7-9H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5-%2Fm1%2Fs1

CHEBI CHEBI:17522
structure data: InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2

CHEBI CHEBI:17754
structure data: InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2

CHEBI CHEBI:15552
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-4-7-14%2821%2910-11-16-17-12-15%288-5-6-9-20%2823%2924%2925-19%2817%2913-18%2816%2922%2Fh8%2C10-11%2C14%2C16-19%2C21-22H%2C2-7%2C9%2C12-13H2%2C1H3%2C%28H%2C23%2C24%29%2Fb11-10%2B%2C15-8-%2Ft14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2Fm0%2Fs1

CHEBI CHEBI:63921
structure data: InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3

biopax-level3ChemicalStructure156903
structure data: <atom id="CPD-505-atom1" elementType="O" x2="4365.0" y2="-6600.0" formalCharge="-1"/> <atom id="CPD-505-atom2" elementType="O" x2="3540.0" y2="-825.0"/> <atom id="CPD-505-atom3" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-505-atom4" elementType="O" x2="5190.0" y2="-5775.0" formalCharge="-1"/> <atom id="CPD-505-atom5" elementType="O" x2="3540.0" y2="-5775.0"/> <atom id="CPD-505-atom6" elementType="O" x2="4365.0" y2="0.0" formalCharge="-1"/> <atom id="CPD-505-atom7" elementType="O" x2="5190.0" y2="-825.0" formalCharge="-1"/> <atom id="CPD-505-atom8" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-505-atom9" elementType="O" x2="5794.0" y2="-4125.0"/> <atom id="CPD-505-atom10" elementType="O" x2="5794.0" y2="-2475.0"/> <atom id="CPD-505-atom11" elementType="O" x2="4365.0" y2="-4950.0"/> <atom id="CPD-505-atom12" elementType="O" x2="4365.0" y2="-1650.0"/> <atom id="CPD-505-atom13" elementType="O" x2="2936.0" y2="-4125.0"/> <atom id="CPD-505-atom14" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-505-atom15" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-505-atom16" elementType="C" x2="5080.0" y2="-3712.0"/> <atom id="CPD-505-atom17" elementType="C" x2="5080.0" y2="-2888.0"/> <atom id="CPD-505-atom18" elementType="C" x2="4365.0" y2="-4125.0"/> <atom id="CPD-505-atom19" elementType="C" x2="4365.0" y2="-2475.0"/> <atom id="CPD-505-atom20" elementType="C" x2="3651.0" y2="-3712.0"/> <atom id="CPD-505-atom21" elementType="C" x2="3651.0" y2="-2888.0"/> <atom id="CPD-505-atom22" elementType="P" x2="4365.0" y2="-5775.0"/> <atom id="CPD-505-atom23" elementType="P" x2="4365.0" y2="-825.0"/> <atom id="CPD-505-atom24" elementType="P" x2="2208.0" y2="-2089.0"/> <atom id="CPD-505-atom25" elementType="P" x2="6508.0" y2="-4538.0"/> <atom id="CPD-505-atom26" elementType="O" x2="7223.0" y2="-4950.0" formalCharge="-1"/> <atom id="CPD-505-atom27" elementType="O" x2="6096.0" y2="-5252.0"/> <atom id="CPD-505-atom28" e…

CHEBI CHEBI:52333
structure data: InChI%3D1S%2FC39H72O5%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38%2841%2943-36-37%2835-40%2944-39%2842%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh17-20%2C37%2C40H%2C3-16%2C21-36H2%2C1-2H3%2Fb19-17-%2C20-18-%2Ft37-%2Fm0%2Fs1

biopax-level3ChemicalStructure140886
structure data: <atom id="CANAVANINE-atom1" elementType="N" x2="5715.0" y2="-825.0" formalCharge="1"/> <atom id="CANAVANINE-atom2" elementType="N" x2="5000.0" y2="-2062.0"/> <atom id="CANAVANINE-atom3" elementType="N" x2="1429.0" y2="0.0" formalCharge="1"/> <atom id="CANAVANINE-atom4" elementType="O" x2="714.0" y2="-2062.0"/> <atom id="CANAVANINE-atom5" elementType="O" x2="0.0" y2="-825.0" formalCharge="-1"/> <atom id="CANAVANINE-atom6" elementType="C" x2="2858.0" y2="-825.0"/> <atom id="CANAVANINE-atom7" elementType="C" x2="2143.0" y2="-1237.0"/> <atom id="CANAVANINE-atom8" elementType="N" x2="4286.0" y2="-825.0"/> <atom id="CANAVANINE-atom9" elementType="O" x2="3572.0" y2="-1237.0"/> <atom id="CANAVANINE-atom10" elementType="C" x2="5000.0" y2="-1237.0"/> <atom id="CANAVANINE-atom11" elementType="C" x2="714.0" y2="-1237.0"/> <atom id="CANAVANINE-atom12" elementType="C" x2="1429.0" y2="-825.0"/> <bond id="CANAVANINE-bond1" atomRefs="CANAVANINE-atom11 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond2" atomRefs="CANAVANINE-atom8 CANAVANINE-atom10" order="1"/> <bond id="CANAVANINE-bond3" atomRefs="CANAVANINE-atom8 CANAVANINE-atom9" order="1"/> <bond id="CANAVANINE-bond4" atomRefs="CANAVANINE-atom7 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond5" atomRefs="CANAVANINE-atom6 CANAVANINE-atom9" order="1"/> <bond id="CANAVANINE-bond6" atomRefs="CANAVANINE-atom6 CANAVANINE-atom7" order="1"/> <bond id="CANAVANINE-bond7" atomRefs="CANAVANINE-atom5 CANAVANINE-atom11" order="1"/> <bond id="CANAVANINE-bond8" atomRefs="CANAVANINE-atom4 CANAVANINE-atom11" order="2"/> <bond id="CANAVANINE-bond9" atomRefs="CANAVANINE-atom3 CANAVANINE-atom12" order="1"/> <bond id="CANAVANINE-bond10" atomRefs="CANAVANINE-atom2 CANAVANINE-atom10" order="1"/> <bond id="CANAVANINE-bond11" atomRefs="CANAVANINE-atom1 CANAVANINE-atom10" order="2"/> <formula concise="H 13 C 5 O 3 N 4"/> 177.183 C(CC([N+])C(=O)[O-])ONC(=[N+])N

CHEBI CHEBI:17650
structure data: InChI%3D1S%2FC21H30O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh9%2C14-16%2C18%2C22%2C24%2C26H%2C3-8%2C10-11H2%2C1-2H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1

biopax-level3ChemicalStructure161703
structure data: <cml> <molecule id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D" title="N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2" formalCharge="0" dictRef="dictN-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D"> <atomArray> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom1" elementType="C" x2="572270.0" y2="0.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom2" elementType="O" x2="330400.0" y2="-1580.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom3" elementType="O" x2="938180.0" y2="-562040.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom4" elementType="O" x2="28710.0" y2="-898660.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom5" elementType="O" x2="238060.0" y2="-1303440.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom6" elementType="O" x2="935760.0" y2="-151180.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom7" elementType="O" x2="4310.0" y2="-481670.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom8" elementType="O" x2="677790.0" y2="-42310.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom9" elementType="O" x2="248920.0" y2="-345410.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom10" elementType="O" x2="245410.0" y2="-909060.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom11" elementType="O" x2="730380.0" y2="-909060.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom12" elementType="R" x2="854130.0" y2="-1123600.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom13" elementType="C" x2="971650.0" y2="-426100.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom14" elementType="C" x2="0.0" y2="-761630.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom15" elementType="C" x2="233890.0" y2="-1163510.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom16" elementType="N" x2="454520.0" y2="-211280.0"/> <atom id="N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D-atom17" elementType="O" x2="730380.0" y2="-1189060.0"/> <atom …

CHEBI CHEBI:15746
structure data: InChI%3D1S%2FC10H26N4%2Fc11-5-3-9-13-7-1-2-8-14-10-4-6-12%2Fh13-14H%2C1-12H2

CHEBI CHEBI:37098
structure data: InChI%3D1S%2FC8H16O3%2Fc1-2-3-4-5-7%289%296-8%2810%2911%2Fh7%2C9H%2C2-6H2%2C1H3%2C%28H%2C10%2C11%29

biopax-level3ChemicalStructure161087
structure data: <cml> <molecule id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL" title="glycoprotein N-acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactose" formalCharge="0" dictRef="dictGLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL"> <atomArray> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom1" elementType="C" x2="5776.0" y2="-990.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom2" elementType="C" x2="5710.0" y2="-5000.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom3" elementType="O" x2="5033.0" y2="-2195.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom4" elementType="O" x2="0.0" y2="-7607.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom5" elementType="O" x2="660.0" y2="-1865.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom6" elementType="O" x2="1485.0" y2="-693.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom7" elementType="O" x2="0.0" y2="-5132.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom8" elementType="O" x2="2904.0" y2="0.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom9" elementType="O" x2="5644.0" y2="-3350.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom10" elementType="O" x2="1435.0" y2="-4307.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom11" elementType="O" x2="2789.0" y2="-3482.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom12" elementType="R" x2="3680.0" y2="-6782.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom13" elementType="C" x2="0.0" y2="-6782.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom14" elementType="C" x2="1336.0" y2="-2343.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom15" elementType="N" x2="4323.0" y2="-957.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom16" elementType="O" x2="2855.0" y2="-6782.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL-atom17" elementType="O" x2="4290.0" y2="-5066.0"/> <atom id="GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL…

CHEBI CHEBI:48467
structure data: InChI%3D1S%2FC27H46O4%2Fc1-16%286-5-7-17%282%2925%2830%2931%2920-8-9-21-24-22%2811-13-27%2820%2C21%294%2926%283%2912-10-19%2828%2914-18%2826%2915-23%2824%2929%2Fh16-24%2C28-29H%2C5-15H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft16-%2C17-%2C18%2B%2C19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:28998
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29%2Fb3-2%2B

CHEBI CHEBI:15837
structure data: InChI%3D1S%2FC5H12O%2Fc1-5%282%293-4-6%2Fh5-6H%2C3-4H2%2C1-2H3

CHEBI CHEBI:136995
structure data: InChI%3D1S%2FC10H15NO2%2Fc1-12-9-4-3-8%285-6-11%297-10%289%2913-2%2Fh3-4%2C7H%2C5-6%2C11H2%2C1-2H3

CHEBI CHEBI:61748
structure data: InChI%3D1S%2FC8H14O%2Fc1-2-3-4-5-6-7-8-9%2Fh6-8H%2C2-5H2%2C1H3%2Fb7-6%2B

CHEBI CHEBI:36559
structure data: InChI%3D1S%2FC7H7NO3%2Fc8-6-4%287%2810%2911%292-1-3-5%286%299%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29%2Fp-1

CHEBI CHEBI:34784
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-9-12-15-18-20%2824-18%2917%2821%2914-11-8-6-7-10-13-16-19%2822%2923%2Fh6-7%2C9%2C11-12%2C14%2C17-18%2C20-21H%2C2-5%2C8%2C10%2C13%2C15-16H2%2C1H3%2C%28H%2C22%2C23%29%2Fb7-6-%2C12-9-%2C14-11-%2Ft17%3F%2C18-%2C20%2B%2Fm0%2Fs1

CHEBI CHEBI:32544
structure data: InChI%3D1S%2FC6H5NO2%2Fc8-6%289%295-2-1-3-7-4-5%2Fh1-4H%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure147774
structure data: <cml> <molecule id="L-1-PHOSPHATIDYL-GLYCEROL-P" title="an L-1-phosphatidylglycerol-phosphate" formalCharge="-3" dictRef="dictL-1-PHOSPHATIDYL-GLYCEROL-P"> <atomArray> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom1" elementType="P" x2="7422.0" y2="-2929.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom2" elementType="O" x2="8247.0" y2="-2933.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom3" elementType="O" x2="7426.0" y2="-2104.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom4" elementType="P" x2="11936.0" y2="-2967.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom5" elementType="O" x2="12761.0" y2="-2971.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom6" elementType="C" x2="10390.0" y2="-3366.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom7" elementType="C" x2="8962.0" y2="-3346.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom8" elementType="O" x2="11111.0" y2="-2963.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom9" elementType="O" x2="11940.0" y2="-2142.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom10" elementType="O" x2="11932.0" y2="-3792.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom11" elementType="C" x2="9682.0" y2="-2943.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom12" elementType="O" x2="7418.0" y2="-3754.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom13" elementType="O" x2="9693.0" y2="-2118.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom14" elementType="O" x2="6597.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom15" elementType="R1" x2="2311.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom16" elementType="C" x2="3025.0" y2="-3338.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom17" elementType="O" x2="3739.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom18" elementType="C" x2="4454.0" y2="-3338.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom19" elementType="C" x2="5168.0" y2="-2925.0"/> <atom id="L-1-PHOSPHATIDYL-GLYCEROL-P-atom20" elementType="C" x2="5883.0" y2="-3338.0"/> …

biopax-level3ChemicalStructure170043
structure data: <atom id="CPD-11569-atom1" elementType="O" x2="30791.0" y2="-6971.0"/> <atom id="CPD-11569-atom2" elementType="O" x2="52224.0" y2="-27597.0"/> <atom id="CPD-11569-atom3" elementType="O" x2="59370.0" y2="-15222.0"/> <atom id="CPD-11569-atom4" elementType="O" x2="23645.0" y2="30154.0" formalCharge="-1"/> <atom id="CPD-11569-atom5" elementType="O" x2="16500.0" y2="17779.0"/> <atom id="CPD-11569-atom6" elementType="N" x2="37935.0" y2="-19347.0"/> <atom id="CPD-11569-atom7" elementType="N" x2="23645.0" y2="21904.0" formalCharge="1"/> <atom id="CPD-11569-atom8" elementType="C" x2="45080.0" y2="-6971.0"/> <atom id="CPD-11569-atom9" elementType="C" x2="45080.0" y2="-15222.0"/> <atom id="CPD-11569-atom10" elementType="C" x2="37935.0" y2="-2846.0"/> <atom id="CPD-11569-atom11" elementType="C" x2="37935.0" y2="5404.0"/> <atom id="CPD-11569-atom12" elementType="C" x2="30791.0" y2="9529.0"/> <atom id="CPD-11569-atom13" elementType="C" x2="45080.0" y2="9529.0"/> <atom id="CPD-11569-atom14" elementType="C" x2="52224.0" y2="-19347.0"/> <atom id="CPD-11569-atom15" elementType="C" x2="30791.0" y2="17779.0"/> <atom id="CPD-11569-atom16" elementType="C" x2="45080.0" y2="17779.0"/> <atom id="CPD-11569-atom17" elementType="C" x2="37935.0" y2="21904.0"/> <bond id="CPD-11569-bond1" atomRefs="CPD-11569-atom1 CPD-11569-atom10" order="2"/> <bond id="CPD-11569-bond2" atomRefs="CPD-11569-atom2 CPD-11569-atom14" order="1"/> <bond id="CPD-11569-bond3" atomRefs="CPD-11569-atom3 CPD-11569-atom14" order="2"/> <bond id="CPD-11569-bond4" atomRefs="CPD-11569-atom4 CPD-11569-atom7" order="1"/> <bond id="CPD-11569-bond5" atomRefs="CPD-11569-atom5 CPD-11569-atom7" order="2"/> <bond id="CPD-11569-bond6" atomRefs="CPD-11569-atom6 CPD-11569-atom9" order="1"/> <bond id="CPD-11569-bond7" atomRefs="CPD-11569-atom7 CPD-11569-atom15" order="1"/> <bond id="CPD-11569-bond8" atomRefs="CPD-11569-atom8 CPD-11569-atom9" order="1"/> <bond id="CPD-11569-bond9" atomRefs="CPD-11569-atom8 CPD-11569-atom10" order="1"/> <bond…

biopax-level3ChemicalStructure130435
structure data: <atom id="L-ASPARTATE-atom1" elementType="O" x2="10451.0" y2="-11270.0"/> <atom id="L-ASPARTATE-atom2" elementType="C" x2="10451.0" y2="-3020.0"/> <atom id="L-ASPARTATE-atom3" elementType="O" x2="17596.0" y2="1105.0" formalCharge="-1"/> <atom id="L-ASPARTATE-atom4" elementType="C" x2="3307.0" y2="1105.0"/> <atom id="L-ASPARTATE-atom5" elementType="N" x2="3307.0" y2="9355.0" formalCharge="1"/> <atom id="L-ASPARTATE-atom6" elementType="C" x2="-3838.0" y2="-3020.0"/> <atom id="L-ASPARTATE-atom7" elementType="C" x2="-10983.0" y2="1105.0"/> <atom id="L-ASPARTATE-atom8" elementType="O" x2="-10983.0" y2="9355.0"/> <atom id="L-ASPARTATE-atom9" elementType="O" x2="-18128.0" y2="-3020.0" formalCharge="-1"/> <bond id="L-ASPARTATE-bond1" atomRefs="L-ASPARTATE-atom2 L-ASPARTATE-atom1" order="2"/> <bond id="L-ASPARTATE-bond2" atomRefs="L-ASPARTATE-atom3 L-ASPARTATE-atom2" order="1"/> <bond id="L-ASPARTATE-bond3" atomRefs="L-ASPARTATE-atom4 L-ASPARTATE-atom2" order="1"/> <bond id="L-ASPARTATE-bond4" atomRefs="L-ASPARTATE-atom4 L-ASPARTATE-atom5" order="1"/> <bond id="L-ASPARTATE-bond5" atomRefs="L-ASPARTATE-atom6 L-ASPARTATE-atom4" order="1"/> <bond id="L-ASPARTATE-bond6" atomRefs="L-ASPARTATE-atom7 L-ASPARTATE-atom6" order="1"/> <bond id="L-ASPARTATE-bond7" atomRefs="L-ASPARTATE-atom8 L-ASPARTATE-atom7" order="2"/> <bond id="L-ASPARTATE-bond8" atomRefs="L-ASPARTATE-atom9 L-ASPARTATE-atom7" order="1"/> <formula concise="H 6 N 1 C 4 O 4"/> 132.096 C(C(CC([O-])=O)[N+])([O-])=O

biopax-level3ChemicalStructure125309
structure data: <atom id="ADENOSINE-atom1" elementType="C" x2="-26128.0" y2="6749.0"/> <atom id="ADENOSINE-atom2" elementType="C" x2="-17879.0" y2="6606.0"/> <atom id="ADENOSINE-atom3" elementType="C" x2="-15467.0" y2="-1282.0"/> <atom id="ADENOSINE-atom4" elementType="O" x2="-30345.0" y2="-14697.0"/> <atom id="ADENOSINE-atom5" elementType="O" x2="-30862.0" y2="13506.0"/> <atom id="ADENOSINE-atom6" elementType="O" x2="-12916.0" y2="13197.0"/> <atom id="ADENOSINE-atom7" elementType="C" x2="-2873.0" y2="-28235.0"/> <atom id="ADENOSINE-atom8" elementType="C" x2="-17125.0" y2="-29268.0"/> <atom id="ADENOSINE-atom9" elementType="C" x2="-10894.0" y2="-16410.0"/> <atom id="ADENOSINE-atom10" elementType="C" x2="-3469.0" y2="-20006.0"/> <atom id="ADENOSINE-atom11" elementType="C" x2="-1648.0" y2="-6782.0"/> <atom id="ADENOSINE-atom12" elementType="N" x2="-9767.0" y2="-8237.0"/> <atom id="ADENOSINE-atom13" elementType="N" x2="2245.0" y2="-14056.0"/> <atom id="ADENOSINE-atom14" elementType="N" x2="-17721.0" y2="-21040.0"/> <atom id="ADENOSINE-atom15" elementType="N" x2="-9701.0" y2="-32866.0"/> <atom id="ADENOSINE-atom16" elementType="N" x2="4552.0" y2="-31832.0"/> <atom id="ADENOSINE-atom17" elementType="O" x2="-22224.0" y2="-6015.0"/> <atom id="ADENOSINE-atom18" elementType="C" x2="-28813.0" y2="-1052.0"/> <atom id="ADENOSINE-atom19" elementType="C" x2="-33308.0" y2="-7970.0"/> <bond id="ADENOSINE-bond1" atomRefs="ADENOSINE-atom17 ADENOSINE-atom18" order="1"/> <bond id="ADENOSINE-bond2" atomRefs="ADENOSINE-atom17 ADENOSINE-atom3" order="1"/> <bond id="ADENOSINE-bond3" atomRefs="ADENOSINE-atom18 ADENOSINE-atom1" order="1"/> <bond id="ADENOSINE-bond4" atomRefs="ADENOSINE-atom1 ADENOSINE-atom2" order="1"/> <bond id="ADENOSINE-bond5" atomRefs="ADENOSINE-atom2 ADENOSINE-atom3" order="1"/> <bond id="ADENOSINE-bond6" atomRefs="ADENOSINE-atom1 ADENOSINE-atom5" order="1"/> <bond id="ADENOSINE-bond7" atomRefs="ADENOSINE-atom2 ADENOSINE-atom6" order="1"/> <bond id="ADENOSINE-bond8" atomRefs="ADENOSINE…

CHEBI CHEBI:57726
structure data: InChI%3D1S%2FC5H9NO2%2Fc7-5%288%294-2-1-3-6-4%2Fh4%2C6H%2C1-3H2%2C%28H%2C7%2C8%29%2Ft4-%2Fm1%2Fs1

CHEBI CHEBI:60268
structure data: InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3

CHEBI CHEBI:16410
structure data: InChI%3D1S%2FC8H12N2O2%2Fc1-5-8%2812%297%282-9%296%284-11%293-10-5%2Fh3%2C11-12H%2C2%2C4%2C9H2%2C1H3

CHEBI CHEBI:27733
structure data: InChI%3D1S%2FC10H16O2%2Fc1-4-10%283%296-5-9%2812-10%298%282%297-11%2Fh4%2C7-9H%2C1%2C5-6H2%2C2-3H3%2Ft8-%2C9-%2C10%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure144496
structure data: <cml> <molecule id="PHOSPHATIDYLCHOLINE" title="a phosphatidylcholine" formalCharge="0" dictRef="dictPHOSPHATIDYLCHOLINE"> <atomArray> <atom id="PHOSPHATIDYLCHOLINE-atom1" elementType="C" x2="24676.0" y2="-32926.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom2" elementType="O" x2="-41312.0" y2="-4057.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom3" elementType="C" x2="41176.0" y2="-32926.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom4" elementType="C" x2="-16843.0" y2="-18764.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom5" elementType="O" x2="12166.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom6" elementType="O" x2="-21102.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom7" elementType="O" x2="3916.0" y2="-34165.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom8" elementType="C" x2="-8593.0" y2="-18764.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom9" elementType="N" x2="32926.0" y2="-32926.0" formalCharge="1"/> <atom id="PHOSPHATIDYLCHOLINE-atom10" elementType="O" x2="-29075.0" y2="-11481.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom11" elementType="O" x2="-4329.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom12" elementType="O" x2="3916.0" y2="-17529.0" formalCharge="-1"/> <atom id="PHOSPHATIDYLCHOLINE-atom13" elementType="R1" x2="-28803.0" y2="3094.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom14" elementType="C" x2="-20829.0" y2="-11481.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom15" elementType="P" x2="3916.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom16" elementType="C" x2="-29352.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom17" elementType="C" x2="20416.0" y2="-25779.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom18" elementType="C" x2="32926.0" y2="-24676.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom19" elementType="R2" x2="-33339.0" y2="-18355.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom20" elementType="C" x2="-33062.0" y2="-4057.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom21" elementType="O" x2="-33611.0" y2="-32649.0"/> <atom id="PHOSPHATIDYLCHOLINE-atom22" elementType="C" x2="32926.0" y2="-41312.0"/> </atomAr…

biopax-level3ChemicalStructure130086
structure data: <atom id="NADP-atom1" elementType="O" x2="53130.0" y2="-33049.0"/> <atom id="NADP-atom2" elementType="O" x2="72891.0" y2="-13253.0"/> <atom id="NADP-atom3" elementType="O" x2="53105.0" y2="-16639.0" formalCharge="-1"/> <atom id="NADP-atom4" elementType="C" x2="99778.0" y2="-47867.0"/> <atom id="NADP-atom5" elementType="C" x2="67454.0" y2="-30291.0"/> <atom id="NADP-atom6" elementType="N" x2="94969.0" y2="-54609.0"/> <atom id="NADP-atom7" elementType="N" x2="79875.0" y2="-39567.0"/> <atom id="NADP-atom8" elementType="O" x2="61335.0" y2="-24826.0"/> <atom id="NADP-atom9" elementType="O" x2="81839.0" y2="-32502.0"/> <atom id="NADP-atom10" elementType="C" x2="72769.0" y2="-43761.0"/> <atom id="NADP-atom11" elementType="C" x2="79875.0" y2="-56161.0"/> <atom id="NADP-atom12" elementType="C" x2="87072.0" y2="-52058.0"/> <atom id="NADP-atom13" elementType="C" x2="87072.0" y2="-43761.0"/> <atom id="NADP-atom14" elementType="C" x2="75247.0" y2="-27725.0"/> <atom id="NADP-atom15" elementType="C" x2="77737.0" y2="-19874.0"/> <atom id="NADP-atom16" elementType="C" x2="85987.0" y2="-19874.0"/> <atom id="NADP-atom17" elementType="C" x2="88524.0" y2="-27725.0"/> <atom id="NADP-atom18" elementType="N" x2="72769.0" y2="-52058.0"/> <atom id="NADP-atom19" elementType="N" x2="94949.0" y2="-41282.0"/> <atom id="NADP-atom20" elementType="P" x2="53121.0" y2="-24844.0"/> <atom id="NADP-atom21" elementType="N" x2="79852.0" y2="-64411.0"/> <atom id="NADP-atom22" elementType="O" x2="44916.0" y2="-24844.0"/> <atom id="NADP-atom23" elementType="O" x2="36666.0" y2="-33112.0"/> <atom id="NADP-atom24" elementType="O" x2="36641.0" y2="-16612.0" formalCharge="-1"/> <atom id="NADP-atom25" elementType="P" x2="36657.0" y2="-24862.0"/> <atom id="NADP-atom26" elementType="O" x2="90842.0" y2="-13204.0"/> <atom id="NADP-atom27" elementType="P" x2="99092.0" y2="-13204.0"/> <atom id="NADP-atom28" elementType="O" x2="99092.0" y2="-21454.0"/> <atom id="NADP-atom29" elementType="O" x2="107342.0" y2="-13204.0" fo…

biopax-level3ChemicalStructure165083
structure data: <cml> <molecule id="Protein-Disulfides" title="a protein disulfide" formalCharge="0" dictRef="dictProtein-Disulfides"> <atomArray> <atom id="Protein-Disulfides-atom1" elementType="S" x2="-19146.0" y2="-2566.0"/> <atom id="Protein-Disulfides-atom2" elementType="S" x2="-28250.0" y2="-2670.0"/> <atom id="Protein-Disulfides-atom3" elementType="R1" x2="-31153.0" y2="5052.0"/> <atom id="Protein-Disulfides-atom4" elementType="Protein" x2="-39403.0" y2="5052.0"/> <atom id="Protein-Disulfides-atom5" elementType="Protein" x2="-7251.0" y2="4896.0"/> <atom id="Protein-Disulfides-atom6" elementType="R2" x2="-23744.0" y2="5052.0"/> <atom id="Protein-Disulfides-atom7" elementType="R3" x2="-15501.0" y2="4896.0"/> </atomArray> <bondArray> <bond id="Protein-Disulfides-bond1" atomRefs="Protein-Disulfides-atom7 Protein-Disulfides-atom5" order="1"/> <bond id="Protein-Disulfides-bond2" atomRefs="Protein-Disulfides-atom3 Protein-Disulfides-atom4" order="1"/> <bond id="Protein-Disulfides-bond3" atomRefs="Protein-Disulfides-atom1 Protein-Disulfides-atom2" order="1"/> <bond id="Protein-Disulfides-bond4" atomRefs="Protein-Disulfides-atom3 Protein-Disulfides-atom6" order="1"/> <bond id="Protein-Disulfides-bond5" atomRefs="Protein-Disulfides-atom1 Protein-Disulfides-atom7" order="1"/> <bond id="Protein-Disulfides-bond6" atomRefs="Protein-Disulfides-atom2 Protein-Disulfides-atom3" order="1"/> <bond id="Protein-Disulfides-bond7" atomRefs="Protein-Disulfides-atom7 Protein-Disulfides-atom6" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">S1([R3]([R2][R1](S1)[Protein])[Protein])</string> </molecule> </cml>

biopax-level3ChemicalStructure174448
structure data: <cml> <molecule id="eEF-2-Histidines" title="an L-histidine in eEF-2" formalCharge="0" dictRef="dicteEF-2-Histidines"> <atomArray> <atom id="eEF-2-Histidines-atom1" elementType="C" x2="-1461.0" y2="-2929.0"/> <atom id="eEF-2-Histidines-atom2" elementType="eEF-2" x2="12829.0" y2="5322.0"/> <atom id="eEF-2-Histidines-atom3" elementType="C" x2="5683.0" y2="9447.0"/> <atom id="eEF-2-Histidines-atom4" elementType="C" x2="-1461.0" y2="5322.0"/> <atom id="eEF-2-Histidines-atom5" elementType="O" x2="5683.0" y2="17698.0"/> <atom id="eEF-2-Histidines-atom6" elementType="N" x2="-8606.0" y2="9447.0"/> <atom id="eEF-2-Histidines-atom7" elementType="eEF-2" x2="-15830.0" y2="5322.0"/> <atom id="eEF-2-Histidines-atom8" elementType="C" x2="5683.0" y2="-7054.0"/> <atom id="eEF-2-Histidines-atom9" elementType="N" x2="9808.0" y2="-19750.0"/> <atom id="eEF-2-Histidines-atom10" elementType="C" x2="3134.0" y2="-14901.0"/> <atom id="eEF-2-Histidines-atom11" elementType="N" x2="13934.0" y2="-7054.0"/> <atom id="eEF-2-Histidines-atom12" elementType="C" x2="16483.0" y2="-14901.0"/> </atomArray> <bondArray> <bond id="eEF-2-Histidines-bond1" atomRefs="eEF-2-Histidines-atom6 eEF-2-Histidines-atom7" order="1"/> <bond id="eEF-2-Histidines-bond2" atomRefs="eEF-2-Histidines-atom4 eEF-2-Histidines-atom6" order="1"/> <bond id="eEF-2-Histidines-bond3" atomRefs="eEF-2-Histidines-atom3 eEF-2-Histidines-atom5" order="2"/> <bond id="eEF-2-Histidines-bond4" atomRefs="eEF-2-Histidines-atom3 eEF-2-Histidines-atom2" order="1"/> <bond id="eEF-2-Histidines-bond5" atomRefs="eEF-2-Histidines-atom4 eEF-2-Histidines-atom3" order="1"/> <bond id="eEF-2-Histidines-bond6" atomRefs="eEF-2-Histidines-atom1 eEF-2-Histidines-atom4" order="1"/> <bond id="eEF-2-Histidines-bond7" atomRefs="eEF-2-Histidines-atom8 eEF-2-Histidines-atom1" order="1"/> <bond id="eEF-2-Histidines-bond8" atomRefs="eEF-2-Histidines-atom10 eEF-2-Histidines-atom8" order="2"/> <bond id="eEF-2-Histidines-bond9" atomRefs="eEF-2-Histidines-atom8 eEF-2-Histi…

biopax-level3ChemicalStructure150595
structure data: <atom id="CPD-12014-atom1" elementType="C" x2="-2563400.0" y2="-117900.0"/> <atom id="CPD-12014-atom2" elementType="C" x2="-3277900.0" y2="294600.0"/> <atom id="CPD-12014-atom3" elementType="C" x2="-3277900.0" y2="1119700.0"/> <atom id="CPD-12014-atom4" elementType="C" x2="-2563400.0" y2="1532200.0"/> <atom id="CPD-12014-atom5" elementType="C" x2="-1064300.0" y2="39700.0"/> <atom id="CPD-12014-atom6" elementType="C" x2="-1848900.0" y2="294600.0"/> <atom id="CPD-12014-atom7" elementType="C" x2="-1848900.0" y2="1119700.0"/> <atom id="CPD-12014-atom8" elementType="N" x2="-1064300.0" y2="1374600.0"/> <atom id="CPD-12014-atom9" elementType="C" x2="-579400.0" y2="707200.0"/> <atom id="CPD-12014-atom10" elementType="O" x2="-3992300.0" y2="-117900.0"/> <atom id="CPD-12014-atom11" elementType="O" x2="-3992300.0" y2="1532100.0"/> <atom id="CPD-12014-atom12" elementType="C" x2="-809300.0" y2="-744900.0"/> <atom id="CPD-12014-atom13" elementType="C" x2="-2400.0" y2="-916400.0"/> <atom id="CPD-12014-atom14" elementType="N" x2="252600.0" y2="-1701000.0"/> <atom id="CPD-12014-atom15" elementType="C" x2="1059600.0" y2="-1872500.0"/> <atom id="CPD-12014-atom16" elementType="C" x2="1314600.0" y2="-2657100.0"/> <atom id="CPD-12014-atom17" elementType="O" x2="1611600.0" y2="-1259400.0"/> <atom id="CPD-12014-atom18" elementType="C" x2="-4032400.0" y2="-941900.0"/> <bond id="CPD-12014-bond1" atomRefs="CPD-12014-atom1 CPD-12014-atom2" order="1"/> <bond id="CPD-12014-bond2" atomRefs="CPD-12014-atom2 CPD-12014-atom3" order="2"/> <bond id="CPD-12014-bond3" atomRefs="CPD-12014-atom3 CPD-12014-atom4" order="1"/> <bond id="CPD-12014-bond4" atomRefs="CPD-12014-atom4 CPD-12014-atom7" order="2"/> <bond id="CPD-12014-bond5" atomRefs="CPD-12014-atom1 CPD-12014-atom6" order="2"/> <bond id="CPD-12014-bond6" atomRefs="CPD-12014-atom5 CPD-12014-atom6" order="1"/> <bond id="CPD-12014-bond7" atomRefs="CPD-12014-atom7 CPD-12014-atom8" order="1"/> <bond id="CPD-12014-bond8" atomRefs="CPD-12014-atom8 CPD-120…

biopax-level3ChemicalStructure144282
structure data: <cml> <molecule id="Chondroitin-N-acetyl-galactosamines" title="[chondroitin]-N-acetyl-galactosamine" formalCharge="0"> <atomArray> <atom id="Chondroitin-N-acetyl-galactosamines-atom1" elementType="O" x2="1684.0" y2="1315.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom2" elementType="O" x2="1683.0" y2="1044.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom3" elementType="O" x2="1825.0" y2="1045.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom4" elementType="O" x2="1541.0" y2="1208.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom5" elementType="O" x2="1752.0" y2="1333.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom6" elementType="N" x2="1825.0" y2="1208.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom7" elementType="C" x2="1684.0" y2="1209.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom8" elementType="C" x2="1755.0" y2="1168.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom9" elementType="C" x2="1612.0" y2="1167.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom10" elementType="C" x2="1755.0" y2="1085.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom11" elementType="C" x2="1612.0" y2="1085.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom12" elementType="C" x2="1541.0" y2="1044.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom13" elementType="C" x2="1825.0" y2="1291.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom14" elementType="C" x2="1896.0" y2="1332.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom15" elementType="R2" x2="1613.0" y2="1356.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom16" elementType="R1" x2="1825.0" y2="963.0"/> <atom id="Chondroitin-N-acetyl-galactosamines-atom17" elementType="O" x2="1469.0" y2="1085.0"/> </atomArray> <bondArray> <bond id="Chondroitin-N-acetyl-galactosamines-bond1" atomRefs="Chondroitin-N-acetyl-galactosamines-atom7 Chondroitin-N-acetyl-galactosamines-atom1" order="1"/> <bond id="Chondroitin-N-acetyl-galactosamines-bond2" atomRe…

CHEBI CHEBI:6030
structure data: InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29

biopax-level3ChemicalStructure134008
structure data: <atom id="ANDROST4ENE-atom1" elementType="C" x2="-10015.0" y2="-2062.0"/> <atom id="ANDROST4ENE-atom2" elementType="C" x2="-7872.0" y2="-3300.0"/> <atom id="ANDROST4ENE-atom3" elementType="O" x2="-12158.0" y2="0.0"/> <atom id="ANDROST4ENE-atom4" elementType="C" x2="-9300.0" y2="0.0"/> <atom id="ANDROST4ENE-atom5" elementType="C" x2="-8586.0" y2="-412.0"/> <atom id="ANDROST4ENE-atom6" elementType="C" x2="-11444.0" y2="-1238.0"/> <atom id="ANDROST4ENE-atom7" elementType="C" x2="-6602.0" y2="-2062.0"/> <atom id="ANDROST4ENE-atom8" elementType="C" x2="-7087.0" y2="-1395.0"/> <atom id="ANDROST4ENE-atom9" elementType="C" x2="-9300.0" y2="-2475.0"/> <atom id="ANDROST4ENE-atom10" elementType="C" x2="-10729.0" y2="-1650.0"/> <atom id="ANDROST4ENE-atom11" elementType="C" x2="-8586.0" y2="-2888.0"/> <atom id="ANDROST4ENE-atom12" elementType="C" x2="-10729.0" y2="0.0"/> <atom id="ANDROST4ENE-atom13" elementType="C" x2="-10015.0" y2="-412.0"/> <atom id="ANDROST4ENE-atom14" elementType="C" x2="-11444.0" y2="-412.0"/> <atom id="ANDROST4ENE-atom15" elementType="O" x2="-6823.0" y2="-3512.0"/> <atom id="ANDROST4ENE-atom16" elementType="C" x2="-8586.0" y2="-1238.0"/> <atom id="ANDROST4ENE-atom17" elementType="C" x2="-9300.0" y2="-1650.0"/> <atom id="ANDROST4ENE-atom18" elementType="C" x2="-7087.0" y2="-2730.0"/> <atom id="ANDROST4ENE-atom19" elementType="C" x2="-7872.0" y2="-1650.0"/> <atom id="ANDROST4ENE-atom20" elementType="C" x2="-10015.0" y2="-1238.0"/> <atom id="ANDROST4ENE-atom21" elementType="C" x2="-7872.0" y2="-2475.0"/> <atom id="ANDROST4ENE-atom22" elementType="H" x2="-9300.0" y2="-825.0"/> <atom id="ANDROST4ENE-atom23" elementType="H" x2="-7786.0" y2="-829.0"/> <atom id="ANDROST4ENE-atom24" elementType="H" x2="-8586.0" y2="-2063.0"/> <bond id="ANDROST4ENE-bond1" atomRefs="ANDROST4ENE-atom21 ANDROST4ENE-atom19" order="1"/> <bond id="ANDROST4ENE-bond2" atomRefs="ANDROST4ENE-atom18 ANDROST4ENE-atom21" order="1"/> <bond id="ANDROST4ENE-bond3" atomRefs="ANDROST4ENE-atom17 ANDR…

CHEBI CHEBI:30762
structure data: InChI%3D1S%2FC7H6O3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%2Fp-1

biopax-level3ChemicalStructure139768
structure data: <cml> <molecule id="Nucleoside-Triphosphates" title="a nucleoside triphosphate" formalCharge="-4" dictRef="dictNucleoside-Triphosphates"> <atomArray> <atom id="Nucleoside-Triphosphates-atom1" elementType="O" x2="855300.0" y2="-2016300.0"/> <atom id="Nucleoside-Triphosphates-atom2" elementType="O" x2="4149900.0" y2="-1986700.0"/> <atom id="Nucleoside-Triphosphates-atom3" elementType="O" x2="2503200.0" y2="-1986700.0"/> <atom id="Nucleoside-Triphosphates-atom4" elementType="O" x2="7929400.0" y2="0.0"/> <atom id="Nucleoside-Triphosphates-atom5" elementType="O" x2="6131700.0" y2="-1300.0"/> <atom id="Nucleoside-Triphosphates-atom6" elementType="O" x2="826700.0" y2="-334300.0" formalCharge="-1"/> <atom id="Nucleoside-Triphosphates-atom7" elementType="O" x2="0.0" y2="-1169700.0" formalCharge="-1"/> <atom id="Nucleoside-Triphosphates-atom8" elementType="O" x2="4147400.0" y2="-340900.0" formalCharge="-1"/> <atom id="Nucleoside-Triphosphates-atom9" elementType="O" x2="2503200.0" y2="-340900.0" formalCharge="-1"/> <atom id="Nucleoside-Triphosphates-atom10" elementType="R" x2="8618300.0" y2="-2577800.0"/> <atom id="Nucleoside-Triphosphates-atom11" elementType="C" x2="5586500.0" y2="-1710000.0"/> <atom id="Nucleoside-Triphosphates-atom12" elementType="O" x2="4972700.0" y2="-1162000.0"/> <atom id="Nucleoside-Triphosphates-atom13" elementType="O" x2="7029200.0" y2="-1931700.0"/> <atom id="Nucleoside-Triphosphates-atom14" elementType="O" x2="1682000.0" y2="-1161100.0"/> <atom id="Nucleoside-Triphosphates-atom15" elementType="O" x2="3326100.0" y2="-1163800.0"/> <atom id="Nucleoside-Triphosphates-atom16" elementType="C" x2="7445200.0" y2="-665300.0"/> <atom id="Nucleoside-Triphosphates-atom17" elementType="C" x2="6617700.0" y2="-665300.0"/> <atom id="Nucleoside-Triphosphates-atom18" elementType="C" x2="7699500.0" y2="-1452700.0"/> <atom id="Nucleoside-Triphosphates-atom19" elementType="C" x2="6368000.0" y2="-1452700.0"/> <atom id="Nucleoside-Triphosphates-atom20" elementType="P" x2=…

biopax-level3ChemicalStructure174199
structure data: <cml> <molecule id="CARDIOLIPIN" title="a cardiolipin" formalCharge="-2" dictRef="dictCARDIOLIPIN"> <atomArray> <atom id="CARDIOLIPIN-atom1" elementType="O" x2="37902.0" y2="14480.0"/> <atom id="CARDIOLIPIN-atom2" elementType="O" x2="29652.0" y2="6230.0"/> <atom id="CARDIOLIPIN-atom3" elementType="O" x2="37902.0" y2="-2020.0" formalCharge="-1"/> <atom id="CARDIOLIPIN-atom4" elementType="P" x2="37902.0" y2="6230.0"/> <atom id="CARDIOLIPIN-atom5" elementType="O" x2="46152.0" y2="6230.0"/> <atom id="CARDIOLIPIN-atom6" elementType="C" x2="50277.0" y2="-915.0"/> <atom id="CARDIOLIPIN-atom7" elementType="C" x2="58527.0" y2="-915.0"/> <atom id="CARDIOLIPIN-atom8" elementType="O" x2="70902.0" y2="-22349.0"/> <atom id="CARDIOLIPIN-atom9" elementType="O" x2="75027.0" y2="13375.0"/> <atom id="CARDIOLIPIN-atom10" elementType="R2" x2="75027.0" y2="-915.0"/> <atom id="CARDIOLIPIN-atom11" elementType="C" x2="62652.0" y2="-8060.0"/> <atom id="CARDIOLIPIN-atom12" elementType="O" x2="70902.0" y2="-8060.0"/> <atom id="CARDIOLIPIN-atom13" elementType="O" x2="62652.0" y2="6230.0"/> <atom id="CARDIOLIPIN-atom14" elementType="C" x2="75027.0" y2="-15204.0"/> <atom id="CARDIOLIPIN-atom15" elementType="C" x2="70902.0" y2="6230.0"/> <atom id="CARDIOLIPIN-atom16" elementType="R1" x2="83277.0" y2="-15204.0"/> <atom id="CARDIOLIPIN-atom17" elementType="O" x2="4902.0" y2="20519.0"/> <atom id="CARDIOLIPIN-atom18" elementType="O" x2="-6367.0" y2="23539.0"/> <atom id="CARDIOLIPIN-atom19" elementType="O" x2="7922.0" y2="31789.0" formalCharge="-1"/> <atom id="CARDIOLIPIN-atom20" elementType="P" x2="777.0" y2="27664.0"/> <atom id="CARDIOLIPIN-atom21" elementType="O" x2="-3348.0" y2="34809.0"/> <atom id="CARDIOLIPIN-atom22" elementType="C" x2="-11598.0" y2="34809.0"/> <atom id="CARDIOLIPIN-atom23" elementType="C" x2="-15723.0" y2="41953.0"/> <atom id="CARDIOLIPIN-atom24" elementType="O" x2="-40473.0" y2="56243.0"/> <atom id="CARDIOLIPIN-atom25" elementType="O" x2="777.0" y2="56243.0"/> <atom id="CARDIOL…

CHEBI CHEBI:63081
structure data: InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft13-%2C19%2B%2Fm0%2Fs1

CHEBI CHEBI:30772
structure data: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

CHEBI CHEBI:17624
structure data: InChI%3D1S%2FC31H55O9P%2Fc1-22%282%2911-7-12-23%283%2913-8-14-24%284%2915-9-16-25%285%2917-10-18-26%286%2919-20-38-41%2836%2C37%2940-31-30%2835%2929%2834%2928%2833%2927%2821-32%2939-31%2Fh11%2C13%2C15%2C17%2C26-35H%2C7-10%2C12%2C14%2C16%2C18-21H2%2C1-6H3%2C%28H%2C36%2C37%29%2Fb23-13%2B%2C24-15%2B%2C25-17-%2Ft26%3F%2C27-%2C28-%2C29%2B%2C30%2B%2C31%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure160363
structure data: <atom id="CPD-11402-atom1" elementType="C" x2="-6482.0" y2="-27402.0"/> <atom id="CPD-11402-atom2" elementType="C" x2="-13627.0" y2="-23277.0"/> <atom id="CPD-11402-atom3" elementType="C" x2="-13627.0" y2="-15027.0"/> <atom id="CPD-11402-atom4" elementType="C" x2="-6482.0" y2="-10902.0"/> <atom id="CPD-11402-atom5" elementType="C" x2="663.0" y2="-15027.0"/> <atom id="CPD-11402-atom6" elementType="C" x2="663.0" y2="-23277.0"/> <atom id="CPD-11402-atom7" elementType="O" x2="-6482.0" y2="-35652.0"/> <atom id="CPD-11402-atom8" elementType="I" x2="7807.0" y2="-27402.0"/> <atom id="CPD-11402-atom9" elementType="O" x2="-6482.0" y2="-2652.0"/> <atom id="CPD-11402-atom10" elementType="C" x2="-6205.0" y2="5594.0"/> <atom id="CPD-11402-atom11" elementType="C" x2="-13349.0" y2="9719.0"/> <atom id="CPD-11402-atom12" elementType="C" x2="-13349.0" y2="17969.0"/> <atom id="CPD-11402-atom13" elementType="C" x2="-6205.0" y2="22094.0"/> <atom id="CPD-11402-atom14" elementType="C" x2="940.0" y2="17969.0"/> <atom id="CPD-11402-atom15" elementType="C" x2="940.0" y2="9719.0"/> <atom id="CPD-11402-atom16" elementType="I" x2="-20494.0" y2="5594.0"/> <atom id="CPD-11402-atom17" elementType="I" x2="8085.0" y2="5594.0"/> <atom id="CPD-11402-atom18" elementType="C" x2="-6205.0" y2="30344.0"/> <atom id="CPD-11402-atom19" elementType="C" x2="-6132.0" y2="37710.0"/> <atom id="CPD-11402-atom20" elementType="N" x2="2118.0" y2="37639.0"/> <atom id="CPD-11402-atom21" elementType="C" x2="-5976.0" y2="45955.0"/> <atom id="CPD-11402-atom22" elementType="O" x2="-14464.0" y2="46063.0"/> <atom id="CPD-11402-atom23" elementType="O" x2="-5999.0" y2="54201.0"/> <atom id="CPD-11402-atom24" elementType="C" x2="-5930.0" y2="62451.0"/> <atom id="CPD-11402-atom25" elementType="C" x2="-12689.0" y2="66563.0"/> <atom id="CPD-11402-atom26" elementType="C" x2="-12689.0" y2="74813.0"/> <atom id="CPD-11402-atom27" elementType="C" x2="-5545.0" y2="78938.0"/> <atom id="CPD-11402-atom28" elementType="C" x2="1600.0" y2="74813…

CHEBI CHEBI:58601
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-2-3%288%294%289%295%2810%296%2814-2%2915-16%2811%2C12%2913%2Fh2-10H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Fp-2%2Ft2-%2C3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1

CHEBI CHEBI:38351
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure133325
structure data: <atom id="EPOXYSQUALENE-atom1" elementType="C" x2="44679.0" y2="21131.0"/> <atom id="EPOXYSQUALENE-atom2" elementType="C" x2="44679.0" y2="29279.0"/> <atom id="EPOXYSQUALENE-atom3" elementType="C" x2="51658.0" y2="33398.0"/> <atom id="EPOXYSQUALENE-atom4" elementType="C" x2="51658.0" y2="17102.0"/> <atom id="EPOXYSQUALENE-atom5" elementType="C" x2="58725.0" y2="29279.0"/> <atom id="EPOXYSQUALENE-atom6" elementType="C" x2="65845.0" y2="33369.0"/> <atom id="EPOXYSQUALENE-atom7" elementType="C" x2="72963.0" y2="29312.0"/> <atom id="EPOXYSQUALENE-atom8" elementType="C" x2="58725.0" y2="21131.0"/> <atom id="EPOXYSQUALENE-atom9" elementType="C" x2="72907.0" y2="21080.0"/> <atom id="EPOXYSQUALENE-atom10" elementType="C" x2="72862.0" y2="4573.0"/> <atom id="EPOXYSQUALENE-atom11" elementType="C" x2="65715.0" y2="8740.0"/> <atom id="EPOXYSQUALENE-atom12" elementType="C" x2="65788.0" y2="16989.0"/> <atom id="EPOXYSQUALENE-atom13" elementType="C" x2="80054.0" y2="16914.0"/> <atom id="EPOXYSQUALENE-atom14" elementType="C" x2="87253.0" y2="21084.0"/> <atom id="EPOXYSQUALENE-atom15" elementType="C" x2="94481.0" y2="16998.0"/> <atom id="EPOXYSQUALENE-atom16" elementType="C" x2="80083.0" y2="8657.0"/> <atom id="EPOXYSQUALENE-atom17" elementType="C" x2="94453.0" y2="8655.0"/> <atom id="EPOXYSQUALENE-atom18" elementType="C" x2="101891.0" y2="4414.0"/> <atom id="EPOXYSQUALENE-atom19" elementType="C" x2="101769.0" y2="-3907.0"/> <atom id="EPOXYSQUALENE-atom20" elementType="C" x2="94467.0" y2="-8071.0"/> <atom id="EPOXYSQUALENE-atom21" elementType="C" x2="87389.0" y2="-3652.0"/> <atom id="EPOXYSQUALENE-atom22" elementType="C" x2="87254.0" y2="4485.0"/> <atom id="EPOXYSQUALENE-atom23" elementType="C" x2="58647.0" y2="11819.0"/> <atom id="EPOXYSQUALENE-atom24" elementType="C" x2="72838.0" y2="13118.0"/> <atom id="EPOXYSQUALENE-atom25" elementType="C" x2="57393.0" y2="36622.0"/> <atom id="EPOXYSQUALENE-atom26" elementType="O" x2="44859.0" y2="36980.0"/> <atom id="EPOXYSQUALENE-atom27" eleme…

CHEBI CHEBI:16382
structure data: InChI%3D1S%2FHI%2Fh1H%2Fp-1

CHEBI CHEBI:52962
structure data: InChI%3D1S%2FC44H89NO3%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44%2848%2945-42%2841-46%2943%2847%2939-37-35-33-31-29-27-16-14-12-10-8-6-4-2%2Fh42-43%2C46-47H%2C3-41H2%2C1-2H3%2C%28H%2C45%2C48%29%2Ft42-%2C43%2B%2Fm0%2Fs1

CHEBI CHEBI:65342
structure data: InChI%3D1S%2FC20H30O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19%2821%2917-15-18-20%2822%2923%2Fh6-7%2C9-10%2C12-14%2C16H%2C2-5%2C8%2C11%2C15%2C17-18H2%2C1H3%2C%28H%2C22%2C23%29%2Fp-1%2Fb7-6-%2C10-9-%2C13-12-%2C16-14%2B

biopax-level3ChemicalStructure143780
structure data: <atom id="CPD-1243-atom1" elementType="C" x2="16376.0" y2="10326.0"/> <atom id="CPD-1243-atom2" elementType="C" x2="16376.0" y2="18605.0"/> <atom id="CPD-1243-atom3" elementType="C" x2="23467.0" y2="22790.0"/> <atom id="CPD-1243-atom4" elementType="C" x2="30649.0" y2="18605.0"/> <atom id="CPD-1243-atom5" elementType="C" x2="30649.0" y2="10326.0"/> <atom id="CPD-1243-atom6" elementType="O" x2="23467.0" y2="6232.0"/> <atom id="CPD-1243-atom7" elementType="C" x2="9285.0" y2="6232.0"/> <atom id="CPD-1243-atom8" elementType="O" x2="23444.0" y2="30978.0"/> <atom id="CPD-1243-atom9" elementType="O" x2="9266.0" y2="22666.0"/> <atom id="CPD-1243-atom10" elementType="O" x2="37384.0" y2="24459.0"/> <atom id="CPD-1243-atom11" elementType="O" x2="2194.0" y2="10326.0"/> <atom id="CPD-1243-atom12" elementType="C" x2="51903.0" y2="6187.0"/> <atom id="CPD-1243-atom13" elementType="C" x2="51903.0" y2="14466.0"/> <atom id="CPD-1243-atom14" elementType="C" x2="58994.0" y2="18650.0"/> <atom id="CPD-1243-atom15" elementType="C" x2="66176.0" y2="14466.0"/> <atom id="CPD-1243-atom16" elementType="C" x2="66176.0" y2="6187.0"/> <atom id="CPD-1243-atom17" elementType="O" x2="58994.0" y2="2093.0"/> <atom id="CPD-1243-atom18" elementType="O" x2="73256.0" y2="2073.0"/> <atom id="CPD-1243-atom19" elementType="C" x2="44811.0" y2="2093.0"/> <atom id="CPD-1243-atom20" elementType="O" x2="58971.0" y2="26838.0"/> <atom id="CPD-1243-atom21" elementType="O" x2="44793.0" y2="18526.0"/> <atom id="CPD-1243-atom22" elementType="O" x2="73275.0" y2="18545.0"/> <atom id="CPD-1243-atom23" elementType="O" x2="37721.0" y2="6187.0"/> <bond id="CPD-1243-bond1" atomRefs="CPD-1243-atom19 CPD-1243-atom23" order="1"/> <bond id="CPD-1243-bond2" atomRefs="CPD-1243-atom15 CPD-1243-atom22" order="1"/> <bond id="CPD-1243-bond3" atomRefs="CPD-1243-atom13 CPD-1243-atom21" order="1"/> <bond id="CPD-1243-bond4" atomRefs="CPD-1243-atom14 CPD-1243-atom20" order="1"/> <bond id="CPD-1243-bond5" atomRefs="CPD-1243-atom12 CPD-1243-at…

biopax-level3ChemicalStructure141158
structure data: <atom id="CPD0-1082-atom1" elementType="C" x2="-2021250.0" y2="-209200.0"/> <atom id="CPD0-1082-atom2" elementType="O" x2="-1949800.0" y2="-250450.0"/> <atom id="CPD0-1082-atom3" elementType="O" x2="-2092700.0" y2="-250450.0" formalCharge="-1"/> <atom id="CPD0-1082-atom4" elementType="C" x2="-2021250.0" y2="-126700.0"/> <atom id="CPD0-1082-atom5" elementType="C" x2="-1949800.0" y2="-85450.0"/> <atom id="CPD0-1082-atom6" elementType="N" x2="-2092700.0" y2="-85450.0" formalCharge="1"/> <atom id="CPD0-1082-atom7" elementType="C" x2="-1878360.0" y2="-126700.0"/> <atom id="CPD0-1082-atom8" elementType="C" x2="-1806910.0" y2="-85450.0"/> <atom id="CPD0-1082-atom9" elementType="C" x2="-1735460.0" y2="-126700.0"/> <atom id="CPD0-1082-atom10" elementType="C" x2="-1664010.0" y2="-85450.0"/> <atom id="CPD0-1082-atom11" elementType="N" x2="-1735460.0" y2="-209200.0"/> <atom id="CPD0-1082-atom12" elementType="C" x2="-1664010.0" y2="-250450.0"/> <atom id="CPD0-1082-atom13" elementType="C" x2="-1592570.0" y2="-209200.0"/> <atom id="CPD0-1082-atom14" elementType="C" x2="-1521120.0" y2="-250450.0"/> <atom id="CPD0-1082-atom15" elementType="O" x2="-1664010.0" y2="-332950.0"/> <atom id="CPD0-1082-atom16" elementType="C" x2="-1449670.0" y2="-209200.0"/> <atom id="CPD0-1082-atom17" elementType="C" x2="-1378230.0" y2="-250450.0"/> <atom id="CPD0-1082-atom18" elementType="O" x2="-1306780.0" y2="-209200.0" formalCharge="-1"/> <atom id="CPD0-1082-atom19" elementType="O" x2="-1378230.0" y2="-332950.0"/> <atom id="CPD0-1082-atom20" elementType="N" x2="-1449670.0" y2="-126700.0"/> <atom id="CPD0-1082-atom21" elementType="C" x2="-1408420.0" y2="-55250.0"/> <atom id="CPD0-1082-atom22" elementType="O" x2="-1449670.0" y2="16200.0"/> <atom id="CPD0-1082-atom23" elementType="C" x2="-1325920.0" y2="-55250.0"/> <atom id="CPD0-1082-atom24" elementType="N" x2="-1284670.0" y2="-126700.0" formalCharge="1"/> <atom id="CPD0-1082-atom25" elementType="C" x2="-1284670.0" y2="16200.0"/> <atom id="CPD0-1082-atom…

CHEBI CHEBI:42977
structure data: InChI%3D1S%2FC27H46O2%2Fc1-18%287-6-14-25%282%2C3%2929%2922-10-11-23-21-9-8-19-17-20%2828%2912-15-26%2819%2C4%2924%2821%2913-16-27%2822%2C23%295%2Fh8%2C18%2C20-24%2C28-29H%2C6-7%2C9-17H2%2C1-5H3%2Ft18-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:149226
structure data: InChI%3D1S%2FC17H21NO4%2Fc1-11%286-12-2-4-14%2819%295-3-12%2918-10-17%2822%2913-7-15%2820%299-16%2821%298-13%2Fh2-5%2C7-9%2C11%2C17-22H%2C6%2C10H2%2C1H3

CHEBI CHEBI:16480
structure data: InChI%3D1S%2FNO%2Fc1-2

CHEBI CHEBI:421843
structure data: InChI%3D1S%2FC11H13N5O2%2Fc12-11-14-9-8%2810%2818%2915-11%2913-5-16%289%297-2-1-6%283-7%294-17%2Fh1-2%2C5-7%2C17H%2C3-4H2%2C%28H3%2C12%2C14%2C15%2C18%29%2Ft6-%2C7%2B%2Fm1%2Fs1

CHEBI CHEBI:52372
structure data: InChI%3D1S%2FC44H89NO4%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43%2848%2944%2849%2945-41%2840-46%2942%2847%2938-36-34-32-30-28-26-16-14-12-10-8-6-4-2%2Fh41-43%2C46-48H%2C3-40H2%2C1-2H3%2C%28H%2C45%2C49%29%2Ft41-%2C42%2B%2C43%3F%2Fm0%2Fs1

CHEBI CHEBI:25858
structure data: InChI%3D1S%2FC7H8N4O2%2Fc1-10-3-8-5-4%2810%296%2812%2911%282%297%2813%299-5%2Fh3H%2C1-2H3%2C%28H%2C9%2C13%29

biopax-level3ChemicalStructure173249
structure data: <cml> <molecule id="Primary-Alcohols" title="a primary alcohol" formalCharge="0" dictRef="dictPrimary-Alcohols"> <atomArray> <atom id="Primary-Alcohols-atom1" elementType="R" x2="-3063.0" y2="-5544.0"/> <atom id="Primary-Alcohols-atom2" elementType="C" x2="4081.0" y2="-1419.0"/> <atom id="Primary-Alcohols-atom3" elementType="O" x2="11226.0" y2="-5544.0"/> </atomArray> <bondArray> <bond id="Primary-Alcohols-bond1" atomRefs="Primary-Alcohols-atom1 Primary-Alcohols-atom2" order="1"/> <bond id="Primary-Alcohols-bond2" atomRefs="Primary-Alcohols-atom2 Primary-Alcohols-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(O)[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure140021
structure data: <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom1" elementType="N" x2="0.0" y2="-16501.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom2" elementType="N" x2="173890.0" y2="-21618.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom3" elementType="O" x2="71276.0" y2="-27387.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom4" elementType="O" x2="104268.0" y2="-27387.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom5" elementType="O" x2="87767.0" y2="-27387.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom6" elementType="O" x2="50485.0" y2="-3960.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom7" elementType="O" x2="119611.0" y2="-5448.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom8" elementType="O" x2="32670.0" y2="-4125.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom9" elementType="O" x2="136773.0" y2="0.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom10" elementType="O" x2="71276.0" y2="-10887.0" formalCharge="-1"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom11" elementType="O" x2="104268.0" y2="-10887.0" formalCharge="-1"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom12" elementType="O" x2="87767.0" y2="-10887.0" formalCharge="-1"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom13" elementType="C" x2="16170.0" y2="-1819.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom14" elementType="C" x2="163003.0" y2="-2646.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom15" elementType="C" x2="22932.0" y2="-28215.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom16" elementType="C" x2="148486.0" y2="-25743.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom17" elementType="C" x2="55602.0" y2="-22601.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom18" elementType="C" x2="119611.0" y2="-23428.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom19" elementType="N" x2="8581.0" y2="-5117.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom20" elementType="N" x2="169269.0" y2="-8085.0"/> <atom id="ADENOSINE5TRIPHOSPHO5ADENOSINE-atom21" elementType="N" x2="22766.0" y2="-…

CHEBI CHEBI:64939
structure data: InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-3%2C7%2C10H%2C4-5H2%2C%28H%2C12%2C13%29

CHEBI CHEBI:36206
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-9-11%2813%2910-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29

biopax-level3ChemicalStructure147495
structure data: <atom id="MI-PENTAKISPHOSPHATE-atom1" elementType="C" x2="12824.0" y2="3288.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom2" elementType="C" x2="12110.0" y2="3701.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom3" elementType="C" x2="12110.0" y2="4526.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom4" elementType="C" x2="13539.0" y2="4526.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom5" elementType="C" x2="12824.0" y2="4938.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom6" elementType="C" x2="13539.0" y2="3701.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom7" elementType="O" x2="14253.0" y2="3288.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom8" elementType="O" x2="12824.0" y2="2464.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom9" elementType="O" x2="11396.0" y2="3288.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom10" elementType="O" x2="11396.0" y2="4938.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom11" elementType="O" x2="12824.0" y2="5764.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom12" elementType="O" x2="14253.0" y2="4938.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom13" elementType="O" x2="13539.0" y2="1226.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom14" elementType="O" x2="14364.0" y2="2051.0" formalCharge="-1"/> <atom id="MI-PENTAKISPHOSPHATE-atom15" elementType="P" x2="13539.0" y2="2051.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom16" elementType="O" x2="13539.0" y2="2876.0" formalCharge="-1"/> <atom id="MI-PENTAKISPHOSPHATE-atom17" elementType="O" x2="10571.0" y2="2464.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom18" elementType="O" x2="9746.0" y2="3288.0" formalCharge="-1"/> <atom id="MI-PENTAKISPHOSPHATE-atom19" elementType="P" x2="10571.0" y2="3288.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom20" elementType="O" x2="10571.0" y2="4114.0" formalCharge="-1"/> <atom id="MI-PENTAKISPHOSPHATE-atom21" elementType="O" x2="11396.0" y2="6588.0" formalCharge="-1"/> <atom id="MI-PENTAKISPHOSPHATE-atom22" elementType="O" x2="12221.0" y2="5764.0"/> <atom id="MI-PENTAKISPHOSPHATE-atom23" elementType="P" x2="11396.0" y2="5764.0"/> <atom id="MI-PENTAKISPHOSPHATE-ato…

CHEBI CHEBI:36264
structure data: InChI%3D1S%2FMo.4O%2Fq%3B%3B%3B2*-1

CHEBI CHEBI:30820
structure data: InChI%3D1S%2FC18H34O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2819%2918%2820%2921%2Fh2-16H2%2C1H3%2C%28H%2C20%2C21%29

biopax-level3ChemicalStructure132221
structure data: <atom id="5-FORMYL-THF-atom1" elementType="N" x2="591.0" y2="0.0"/> <atom id="5-FORMYL-THF-atom2" elementType="O" x2="24631.0" y2="-33189.0"/> <atom id="5-FORMYL-THF-atom3" elementType="O" x2="91593.0" y2="-58555.0"/> <atom id="5-FORMYL-THF-atom4" elementType="O" x2="90117.0" y2="-16076.0"/> <atom id="5-FORMYL-THF-atom5" elementType="O" x2="74187.0" y2="-19322.0"/> <atom id="5-FORMYL-THF-atom6" elementType="O" x2="14458.0" y2="-25366.0"/> <atom id="5-FORMYL-THF-atom7" elementType="O" x2="103684.0" y2="-51176.0" formalCharge="-1"/> <atom id="5-FORMYL-THF-atom8" elementType="O" x2="102652.0" y2="-23157.0" formalCharge="-1"/> <atom id="5-FORMYL-THF-atom9" elementType="C" x2="29054.0" y2="-26254.0"/> <atom id="5-FORMYL-THF-atom10" elementType="C" x2="54573.0" y2="-23745.0"/> <atom id="5-FORMYL-THF-atom11" elementType="C" x2="54279.0" y2="-38056.0"/> <atom id="5-FORMYL-THF-atom12" elementType="C" x2="62831.0" y2="-23745.0"/> <atom id="5-FORMYL-THF-atom13" elementType="C" x2="62831.0" y2="-38056.0"/> <atom id="5-FORMYL-THF-atom14" elementType="C" x2="91000.0" y2="-44099.0"/> <atom id="5-FORMYL-THF-atom15" elementType="C" x2="94690.0" y2="-37318.0"/> <atom id="5-FORMYL-THF-atom16" elementType="C" x2="42332.0" y2="-17258.0"/> <atom id="5-FORMYL-THF-atom17" elementType="C" x2="35989.0" y2="-5017.0"/> <atom id="5-FORMYL-THF-atom18" elementType="N" x2="14458.0" y2="-738.0"/> <atom id="5-FORMYL-THF-atom19" elementType="N" x2="42332.0" y2="-30677.0"/> <atom id="5-FORMYL-THF-atom20" elementType="N" x2="29054.0" y2="-738.0"/> <atom id="5-FORMYL-THF-atom21" elementType="N" x2="82742.0" y2="-30677.0"/> <atom id="5-FORMYL-THF-atom22" elementType="C" x2="95424.0" y2="-51176.0"/> <atom id="5-FORMYL-THF-atom23" elementType="C" x2="94391.0" y2="-23157.0"/> <atom id="5-FORMYL-THF-atom24" elementType="C" x2="74187.0" y2="-27580.0"/> <atom id="5-FORMYL-THF-atom25" elementType="C" x2="7373.0" y2="-5017.0"/> <atom id="5-FORMYL-THF-atom26" elementType="C" x2="50147.0" y2="-30677.0"/> <atom id=…

CHEBI CHEBI:57465
structure data: InChI%3D1S%2FC18H30O3%2Fc1-2-3-10-13-16-17%2821-16%2914-11-8-6-4-5-7-9-12-15-18%2819%2920%2Fh8%2C11%2C14%2C16H%2C2-7%2C9-10%2C12-13%2C15H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb11-8-%2C17-14-%2Ft16-%2Fm0%2Fs1

CHEBI CHEBI:12266
structure data: InChI%3D1S%2FC9H17NO3%2Fc1-7%2810%298%2811%295-3-2-4-6-9%2812%2913%2Fh7H%2C2-6%2C10H2%2C1H3%2C%28H%2C12%2C13%29%2Fp-1

CHEBI CHEBI:9362
structure data: InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2910-4-6-11%287-5-10%2913%2815%2912-3-2-8-18-12%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29

CHEBI CHEBI:15355
structure data: InChI%3D1S%2FC7H16NO2%2Fc1-7%289%2910-6-5-8%282%2C3%294%2Fh5-6H2%2C1-4H3%2Fq%2B1

CHEBI CHEBI:12387
structure data: InChI%3D1S%2FC6H13O8P%2Fc1-2-3%287%294%288%295%289%296%2813-2%2914-15%2810%2C11%2912%2Fh2-9H%2C1H3%2C%28H2%2C10%2C11%2C12%29%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:50147
structure data: InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3%2Ft15-%2C16-%2C17%2B%2Fm1%2Fs1

CHEBI CHEBI:37251
structure data: InChI%3D1S%2FC16H30O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15%2817%2914-16%2818%2919%2Fh2-14H2%2C1H3%2C%28H%2C18%2C19%29

biopax-level3ChemicalStructure161453
structure data: <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom1" elementType="C" x2="8648.0" y2="-4216.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom2" elementType="O" x2="7539.0" y2="-3223.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom3" elementType="O" x2="0.0" y2="-3300.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom4" elementType="O" x2="923.0" y2="-4873.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom5" elementType="O" x2="3799.0" y2="-6021.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom6" elementType="O" x2="1429.0" y2="0.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom7" elementType="O" x2="0.0" y2="-825.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom8" elementType="O" x2="2858.0" y2="-825.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom9" elementType="O" x2="1439.0" y2="-3507.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom10" elementType="O" x2="4264.0" y2="-3068.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom11" elementType="O" x2="5940.0" y2="-3842.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom12" elementType="C" x2="0.0" y2="-2475.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom13" elementType="C" x2="1710.0" y2="-5144.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom14" elementType="C" x2="4548.0" y2="-6344.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom15" elementType="N" x2="7384.0" y2="-4654.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom16" elementType="O" x2="7410.0" y2="-6305.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom17" elementType="O" x2="1429.0" y2="-2475.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom18" elementType="O" x2="3116.0" y2="-4925.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom19" elementType="O" x2="5940.0" y2="-6331.0"/> <atom id="ALPHA-D-GALACTOSYL-ETCETERA-GLUCOSAMINYL-atom20" elementType="O" x2="2858.0" …

biopax-level3ChemicalStructure174535
structure data: <atom id="CPD-11831-atom1" elementType="C" x2="-6777.0" y2="-8250.0"/> <atom id="CPD-11831-atom2" elementType="C" x2="-13921.0" y2="-4125.0"/> <atom id="CPD-11831-atom3" elementType="C" x2="-13921.0" y2="4125.0"/> <atom id="CPD-11831-atom4" elementType="C" x2="-6777.0" y2="8250.0"/> <atom id="CPD-11831-atom5" elementType="C" x2="368.0" y2="4125.0"/> <atom id="CPD-11831-atom6" elementType="C" x2="368.0" y2="-4125.0"/> <atom id="CPD-11831-atom7" elementType="O" x2="-21067.0" y2="-8250.0"/> <atom id="CPD-11831-atom8" elementType="O" x2="-6777.0" y2="-16500.0"/> <atom id="CPD-11831-atom9" elementType="C" x2="368.0" y2="-20626.0"/> <atom id="CPD-11831-atom10" elementType="C" x2="7619.0" y2="8249.0"/> <atom id="CPD-11831-atom11" elementType="C" x2="7613.0" y2="16498.0"/> <atom id="CPD-11831-atom12" elementType="C" x2="14965.0" y2="20443.0"/> <atom id="CPD-11831-atom13" elementType="O" x2="15172.0" y2="28691.0"/> <atom id="CPD-11831-atom14" elementType="O" x2="22005.0" y2="16140.0"/> <atom id="CPD-11831-atom15" elementType="O" x2="680.0" y2="20801.0"/> <bond id="CPD-11831-bond1" atomRefs="CPD-11831-atom1 CPD-11831-atom2" order="2"/> <bond id="CPD-11831-bond2" atomRefs="CPD-11831-atom2 CPD-11831-atom3" order="1"/> <bond id="CPD-11831-bond3" atomRefs="CPD-11831-atom3 CPD-11831-atom4" order="2"/> <bond id="CPD-11831-bond4" atomRefs="CPD-11831-atom4 CPD-11831-atom5" order="1"/> <bond id="CPD-11831-bond5" atomRefs="CPD-11831-atom5 CPD-11831-atom6" order="2"/> <bond id="CPD-11831-bond6" atomRefs="CPD-11831-atom1 CPD-11831-atom6" order="1"/> <bond id="CPD-11831-bond7" atomRefs="CPD-11831-atom2 CPD-11831-atom7" order="1"/> <bond id="CPD-11831-bond8" atomRefs="CPD-11831-atom1 CPD-11831-atom8" order="1"/> <bond id="CPD-11831-bond9" atomRefs="CPD-11831-atom8 CPD-11831-atom9" order="1"/> <bond id="CPD-11831-bond10" atomRefs="CPD-11831-atom5 CPD-11831-atom10" order="1"/> <bond id="CPD-11831-bond11" atomRefs="CPD-11831-atom10 CPD-11831-atom11" order="1"/> <bond id="CPD-11831-bond12" ato…

CHEBI CHEBI:62891
structure data: InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3

CHEBI CHEBI:61647
structure data: InChI%3D1S%2FC49H86O7%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43%2850%2954-33-42-44%2851%2945%2852%2946%2853%2947%2856-42%2955-37-28-30-48%285%2936%2832-37%2924-25-38-40-27-26-39%2835%284%2922-20-21-34%282%293%2949%2840%2C6%2931-29-41%2838%2948%2Fh24%2C34-35%2C37-42%2C44-47%2C51-53H%2C7-23%2C25-33H2%2C1-6H3%2Ft35-%2C37%2B%2C38%2B%2C39-%2C40%2B%2C41%2B%2C42-%2C44%2B%2C45%2B%2C46-%2C47-%2C48%2B%2C49-%2Fm1%2Fs1

biopax-level3ChemicalStructure168804
structure data: <cml> <molecule id="Protein-Glycines" title="a [protein]-glycine" formalCharge="0" dictRef="dictProtein-Glycines"> <atomArray> <atom id="Protein-Glycines-atom1" elementType="Protein" x2="11785.0" y2="4398.0"/> <atom id="Protein-Glycines-atom2" elementType="C" x2="1501.0" y2="8523.0"/> <atom id="Protein-Glycines-atom3" elementType="C" x2="-5643.0" y2="4398.0"/> <atom id="Protein-Glycines-atom4" elementType="N" x2="-12788.0" y2="8523.0"/> <atom id="Protein-Glycines-atom5" elementType="Protein" x2="-23214.0" y2="3794.0"/> <atom id="Protein-Glycines-atom6" elementType="O" x2="1501.0" y2="16773.0"/> </atomArray> <bondArray> <bond id="Protein-Glycines-bond1" atomRefs="Protein-Glycines-atom3 Protein-Glycines-atom2" order="1"/> <bond id="Protein-Glycines-bond2" atomRefs="Protein-Glycines-atom2 Protein-Glycines-atom1" order="1"/> <bond id="Protein-Glycines-bond3" atomRefs="Protein-Glycines-atom2 Protein-Glycines-atom6" order="2"/> <bond id="Protein-Glycines-bond4" atomRefs="Protein-Glycines-atom3 Protein-Glycines-atom4" order="1"/> <bond id="Protein-Glycines-bond5" atomRefs="Protein-Glycines-atom4 Protein-Glycines-atom5" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)([Protein])CN[Protein]</string> </molecule> </cml>

biopax-level3ChemicalStructure157824
structure data: <atom id="CPD-465-atom1" elementType="C" x2="-38592.0" y2="5821.0"/> <atom id="CPD-465-atom2" elementType="C" x2="-31447.0" y2="1696.0"/> <atom id="CPD-465-atom3" elementType="C" x2="-24303.0" y2="5821.0"/> <atom id="CPD-465-atom4" elementType="C" x2="-17158.0" y2="1696.0"/> <atom id="CPD-465-atom5" elementType="C" x2="-10014.0" y2="5821.0"/> <atom id="CPD-465-atom6" elementType="C" x2="-2868.0" y2="1696.0"/> <atom id="CPD-465-atom7" elementType="C" x2="4277.0" y2="5821.0"/> <atom id="CPD-465-atom8" elementType="C" x2="-31447.0" y2="-6554.0"/> <atom id="CPD-465-atom9" elementType="C" x2="-2868.0" y2="-6554.0"/> <atom id="CPD-465-atom10" elementType="C" x2="11422.0" y2="1696.0"/> <atom id="CPD-465-atom11" elementType="C" x2="18566.0" y2="5821.0"/> <atom id="CPD-465-atom12" elementType="C" x2="25711.0" y2="1696.0"/> <atom id="CPD-465-atom13" elementType="C" x2="32857.0" y2="5821.0"/> <atom id="CPD-465-atom14" elementType="C" x2="25711.0" y2="-6554.0"/> <atom id="CPD-465-atom15" elementType="C" x2="40001.0" y2="1696.0"/> <atom id="CPD-465-atom16" elementType="C" x2="47146.0" y2="5821.0"/> <atom id="CPD-465-atom17" elementType="C" x2="47117.0" y2="-2521.0"/> <atom id="CPD-465-atom18" elementType="C" x2="54291.0" y2="1696.0"/> <atom id="CPD-465-atom19" elementType="C" x2="47117.0" y2="-10771.0"/> <atom id="CPD-465-atom20" elementType="C" x2="61435.0" y2="5821.0"/> <atom id="CPD-465-atom21" elementType="C" x2="68581.0" y2="1696.0"/> <atom id="CPD-465-atom22" elementType="C" x2="75726.0" y2="5821.0"/> <atom id="CPD-465-atom23" elementType="C" x2="82870.0" y2="1696.0"/> <atom id="CPD-465-atom24" elementType="C" x2="90015.0" y2="5821.0"/> <atom id="CPD-465-atom25" elementType="C" x2="97160.0" y2="1696.0"/> <atom id="CPD-465-atom26" elementType="C" x2="104304.0" y2="5821.0"/> <atom id="CPD-465-atom27" elementType="C" x2="111450.0" y2="1696.0"/> <atom id="CPD-465-atom28" elementType="C" x2="75726.0" y2="14072.0"/> <atom id="CPD-465-atom29" elementType="C" x2="104304.0" y2="140…

biopax-level3ChemicalStructure132845
structure data: <atom id="CPD-730-atom1" elementType="C" x2="25454.0" y2="-15606.0"/> <atom id="CPD-730-atom2" elementType="C" x2="-17651.0" y2="-32999.0"/> <atom id="CPD-730-atom3" elementType="C" x2="4350.0" y2="-19441.0"/> <atom id="CPD-730-atom4" elementType="C" x2="4733.0" y2="-33897.0"/> <atom id="CPD-730-atom5" elementType="O" x2="-36327.0" y2="-37861.0"/> <atom id="CPD-730-atom6" elementType="O" x2="37732.0" y2="-15731.0" formalCharge="-1"/> <atom id="CPD-730-atom7" elementType="C" x2="-33768.0" y2="-17651.0"/> <atom id="CPD-730-atom8" elementType="O" x2="30826.0" y2="-27373.0"/> <atom id="CPD-730-atom9" elementType="C" x2="-33768.0" y2="-31209.0"/> <atom id="CPD-730-atom10" elementType="C" x2="-25196.0" y2="-19441.0"/> <atom id="CPD-730-atom11" elementType="C" x2="-37861.0" y2="-24814.0"/> <atom id="CPD-730-atom12" elementType="C" x2="-2559.0" y2="-15220.0"/> <atom id="CPD-730-atom13" elementType="C" x2="-17140.0" y2="-15220.0"/> <atom id="CPD-730-atom14" elementType="C" x2="-9976.0" y2="-19699.0"/> <atom id="CPD-730-atom15" elementType="C" x2="18419.0" y2="-19699.0"/> <atom id="CPD-730-atom16" elementType="C" x2="-25196.0" y2="-29164.0"/> <atom id="CPD-730-atom17" elementType="C" x2="-2942.0" y2="-29418.0"/> <atom id="CPD-730-atom18" elementType="C" x2="-10616.0" y2="-29418.0"/> <atom id="CPD-730-atom19" elementType="C" x2="11767.0" y2="-30186.0"/> <atom id="CPD-730-atom20" elementType="C" x2="30955.0" y2="-20979.0"/> <atom id="CPD-730-atom21" elementType="C" x2="12025.0" y2="-15091.0"/> <bond id="CPD-730-bond1" atomRefs="CPD-730-atom21 CPD-730-atom15" order="1"/> <bond id="CPD-730-bond2" atomRefs="CPD-730-atom19 CPD-730-atom4" order="1"/> <bond id="CPD-730-bond3" atomRefs="CPD-730-atom18 CPD-730-atom2" order="1"/> <bond id="CPD-730-bond4" atomRefs="CPD-730-atom17 CPD-730-atom18" order="2"/> <bond id="CPD-730-bond5" atomRefs="CPD-730-atom16 CPD-730-atom10" order="1"/> <bond id="CPD-730-bond6" atomRefs="CPD-730-atom16 CPD-730-atom9" order="1"/> <bond id="CPD-730-bond7" ato…

biopax-level3ChemicalStructure167204
structure data: <atom id="DESMOSTEROL-CPD-atom1" elementType="C" x2="7859.0" y2="-2888.0"/> <atom id="DESMOSTEROL-CPD-atom2" elementType="C" x2="8574.0" y2="-4125.0"/> <atom id="DESMOSTEROL-CPD-atom3" elementType="C" x2="4287.0" y2="-4125.0"/> <atom id="DESMOSTEROL-CPD-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="DESMOSTEROL-CPD-atom5" elementType="C" x2="4287.0" y2="-3300.0"/> <atom id="DESMOSTEROL-CPD-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="DESMOSTEROL-CPD-atom7" elementType="C" x2="7144.0" y2="-4125.0"/> <atom id="DESMOSTEROL-CPD-atom8" elementType="C" x2="2858.0" y2="0.0"/> <atom id="DESMOSTEROL-CPD-atom9" elementType="C" x2="6430.0" y2="-3712.0"/> <atom id="DESMOSTEROL-CPD-atom10" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="DESMOSTEROL-CPD-atom11" elementType="C" x2="5716.0" y2="-4125.0"/> <atom id="DESMOSTEROL-CPD-atom12" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="DESMOSTEROL-CPD-atom13" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="DESMOSTEROL-CPD-atom14" elementType="C" x2="5716.0" y2="-2475.0"/> <atom id="DESMOSTEROL-CPD-atom15" elementType="C" x2="5716.0" y2="-1650.0"/> <atom id="DESMOSTEROL-CPD-atom16" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="DESMOSTEROL-CPD-atom17" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="DESMOSTEROL-CPD-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="DESMOSTEROL-CPD-atom19" elementType="C" x2="7859.0" y2="-3712.0"/> <atom id="DESMOSTEROL-CPD-atom20" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="DESMOSTEROL-CPD-atom21" elementType="C" x2="714.0" y2="-412.0"/> <atom id="DESMOSTEROL-CPD-atom22" elementType="C" x2="5001.0" y2="-3712.0"/> <atom id="DESMOSTEROL-CPD-atom23" elementType="C" x2="5001.0" y2="-2888.0"/> <atom id="DESMOSTEROL-CPD-atom24" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="DESMOSTEROL-CPD-atom25" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="DESMOSTEROL-CPD-atom26" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="DESMOSTEROL-CPD-a…

CHEBI CHEBI:16120
structure data: InChI%3D1S%2FC5H8O3%2Fc6-4-2-1-3-5%287%298%2Fh4H%2C1-3H2%2C%28H%2C7%2C8%29%2Fp-1

biopax-level3ChemicalStructure156450
structure data: <atom id="DEOXYADENOSINE-atom1" elementType="O" x2="27825.0" y2="8855.0"/> <atom id="DEOXYADENOSINE-atom2" elementType="C" x2="9583.0" y2="-2235.0"/> <atom id="DEOXYADENOSINE-atom3" elementType="C" x2="-2000.0" y2="-12443.0"/> <atom id="DEOXYADENOSINE-atom4" elementType="C" x2="20080.0" y2="6012.0"/> <atom id="DEOXYADENOSINE-atom5" elementType="C" x2="10695.0" y2="-16568.0"/> <atom id="DEOXYADENOSINE-atom6" elementType="N" x2="5846.0" y2="-9894.0"/> <atom id="DEOXYADENOSINE-atom7" elementType="O" x2="6741.0" y2="5510.0"/> <atom id="DEOXYADENOSINE-atom8" elementType="N" x2="-16289.0" y2="-20693.0"/> <atom id="DEOXYADENOSINE-atom9" elementType="C" x2="13228.0" y2="10607.0"/> <atom id="DEOXYADENOSINE-atom10" elementType="C" x2="-9145.0" y2="-24818.0"/> <atom id="DEOXYADENOSINE-atom11" elementType="N" x2="5846.0" y2="-23242.0"/> <atom id="DEOXYADENOSINE-atom12" elementType="N" x2="-9145.0" y2="-8318.0"/> <atom id="DEOXYADENOSINE-atom13" elementType="O" x2="5623.0" y2="22704.0"/> <atom id="DEOXYADENOSINE-atom14" elementType="C" x2="-16289.0" y2="-12443.0"/> <atom id="DEOXYADENOSINE-atom15" elementType="N" x2="-9145.0" y2="-33068.0"/> <atom id="DEOXYADENOSINE-atom16" elementType="C" x2="-2000.0" y2="-20693.0"/> <atom id="DEOXYADENOSINE-atom17" elementType="C" x2="17827.0" y2="-1925.0"/> <atom id="DEOXYADENOSINE-atom18" elementType="C" x2="12918.0" y2="18851.0"/> <bond id="DEOXYADENOSINE-bond1" atomRefs="DEOXYADENOSINE-atom9 DEOXYADENOSINE-atom18" order="1"/> <bond id="DEOXYADENOSINE-bond2" atomRefs="DEOXYADENOSINE-atom16 DEOXYADENOSINE-atom3" order="1"/> <bond id="DEOXYADENOSINE-bond3" atomRefs="DEOXYADENOSINE-atom11 DEOXYADENOSINE-atom16" order="1"/> <bond id="DEOXYADENOSINE-bond4" atomRefs="DEOXYADENOSINE-atom15 DEOXYADENOSINE-atom10" order="1"/> <bond id="DEOXYADENOSINE-bond5" atomRefs="DEOXYADENOSINE-atom14 DEOXYADENOSINE-atom12" order="1"/> <bond id="DEOXYADENOSINE-bond6" atomRefs="DEOXYADENOSINE-atom13 DEOXYADENOSINE-atom18" order="1"/> <bond id="DEOXYADENOSINE-bond…

CHEBI CHEBI:48530
structure data: InChI%3D1S%2FC16H24O5%2Fc1-10%282%295-6-12-15%283%2C21-12%2914-13%2820-4%2911%2818%297-8-16%2814%2C19%299-17%2Fh5%2C9%2C12-14%2C19H%2C6-8H2%2C1-4H3%2Ft12-%2C13-%2C14-%2C15%2B%2C16%2B%2Fm1%2Fs1

CHEBI CHEBI:27565
structure data: InChI%3D1S%2FC7H7NO3%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29

biopax-level3ChemicalStructure157900
structure data: <atom id="CPD-9864-atom1" elementType="C" x2="5.4491e+7" y2="-2.0625998e+7"/> <atom id="CPD-9864-atom2" elementType="C" x2="8.3068e+7" y2="-2.0625998e+7"/> <atom id="CPD-9864-atom3" elementType="C" x2="1.11646e+8" y2="-2.0625998e+7"/> <atom id="CPD-9864-atom4" elementType="C" x2="1.4022501e+8" y2="-2.0625e+7"/> <atom id="CPD-9864-atom5" elementType="C" x2="1.68804e+8" y2="-2.0625e+7"/> <atom id="CPD-9864-atom6" elementType="C" x2="1.9738101e+8" y2="-2.0625e+7"/> <atom id="CPD-9864-atom7" elementType="C" x2="2.25958e+8" y2="-2.0624002e+7"/> <atom id="CPD-9864-atom8" elementType="C" x2="2.5453699e+8" y2="-2.0624002e+7"/> <atom id="CPD-9864-atom9" elementType="C" x2="6.1634e+7" y2="-8252000.0"/> <atom id="CPD-9864-atom10" elementType="C" x2="9.0213e+7" y2="-8252000.0"/> <atom id="CPD-9864-atom11" elementType="C" x2="1.1879e+8" y2="-8252000.0"/> <atom id="CPD-9864-atom12" elementType="C" x2="1.47368e+8" y2="-8251000.0"/> <atom id="CPD-9864-atom13" elementType="C" x2="1.7594802e+8" y2="-8251000.0"/> <atom id="CPD-9864-atom14" elementType="C" x2="2.04526e+8" y2="-8251000.0"/> <atom id="CPD-9864-atom15" elementType="C" x2="2.33104e+8" y2="-8250000.0"/> <atom id="CPD-9864-atom16" elementType="C" x2="2.6168e+8" y2="-8250000.0"/> <atom id="CPD-9864-atom17" elementType="C" x2="6.8779e+7" y2="-1.2377e+7"/> <atom id="CPD-9864-atom18" elementType="C" x2="9.7357e+7" y2="-1.2377e+7"/> <atom id="CPD-9864-atom19" elementType="C" x2="1.25935e+8" y2="-1.2377e+7"/> <atom id="CPD-9864-atom20" elementType="C" x2="1.5451299e+8" y2="-1.2376e+7"/> <atom id="CPD-9864-atom21" elementType="C" x2="1.8309099e+8" y2="-1.2376e+7"/> <atom id="CPD-9864-atom22" elementType="C" x2="2.1167101e+8" y2="-1.2376e+7"/> <atom id="CPD-9864-atom23" elementType="C" x2="2.4024901e+8" y2="-1.2375e+7"/> <atom id="CPD-9864-atom24" elementType="C" x2="2.6882602e+8" y2="-1.2375e+7"/> <atom id="CPD-9864-atom25" elementType="C" x2="7.5923e+7" y2="-8252000.0"/> <atom id="CPD-9864-atom26" elementType="C" x2="1.04501e+8" y…

CHEBI CHEBI:58968
structure data: InChI%3D1S%2FC9H16O2%2Fc1-2-3-4-6-9%2811%297-5-8-10%2Fh5%2C7-9%2C11H%2C2-4%2C6H2%2C1H3%2Fb7-5%2B

CHEBI CHEBI:61456
structure data: InChI%3D1S%2FC19H36O2%2Fc1-2-3-4-10-13-17-16-18%2817%2914-11-8-6-5-7-9-12-15-19%2820%2921%2Fh17-18H%2C2-16H2%2C1H3%2C%28H%2C20%2C21%29

CHEBI CHEBI:17051
structure data: InChI%3D1S%2FFH%2Fh1H%2Fp-1

CHEBI CHEBI:15999
structure data: InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-4%2C10H%2C5H2%2C%28H%2C12%2C13%29

CHEBI CHEBI:59804
structure data: InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3%2Ft13-%2Fm1%2Fs1

CHEBI CHEBI:59277
structure data: InChI%3D1S%2FC8H15NO5%2Fc1-3-6%2811%297%2812%295%288%2813%2914-3%299-4%282%2910%2Fh3%2C5-8%2C11-13H%2C1-2H3%2C%28H%2C9%2C10%29%2Ft3-%2C5-%2C6-%2C7-%2C8%3F%2Fm1%2Fs1

CHEBI CHEBI:14737
structure data: InChI%3D1S%2FC6H12O4%2Fc1-6%282%2C3-7%294%288%295%289%2910%2Fh4%2C7-8H%2C3H2%2C1-2H3%2C%28H%2C9%2C10%29

biopax-level3ChemicalStructure142446
structure data: <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom1" elementType="C" x2="4283.0" y2="0.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom2" elementType="O" x2="4993.0" y2="-1236.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom3" elementType="O" x2="0.0" y2="-2473.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom4" elementType="O" x2="710.0" y2="-1244.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom5" elementType="O" x2="2138.0" y2="-419.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom6" elementType="Glycans" x2="4667.0" y2="-2889.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom7" elementType="C" x2="710.0" y2="-2893.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom8" elementType="N" x2="3567.0" y2="-1244.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom9" elementType="O" x2="3567.0" y2="-2893.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom10" elementType="O" x2="2138.0" y2="-2893.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom11" elementType="C" x2="4278.0" y2="-825.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom12" elementType="C" x2="1425.0" y2="-1656.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom13" elementType="C" x2="2138.0" y2="-1244.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom14" elementType="C" x2="1425.0" y2="-2481.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom15" elementType="C" x2="2853.0" y2="-2481.0"/> <atom id="N-ACETYL-D-GALACTOSALAMINYL-R-atom16" elementType="C" x2="2853.0" y2="-1656.0"/> <bond id="N-ACETYL-D-GALACTOSALAMINYL-R-bond1" atomRefs="N-ACETYL-D-GALACTOSALAMINYL-R-atom15 N-ACETYL-D-GALACTOSALAMINYL-R-atom16" order="1"/> <bond id="N-ACETYL-D-GALACTOSALAMINYL-R-bond2" atomRefs="N-ACETYL-D-GALACTOSALAMINYL-R-atom13 N-ACETYL-D-GALACTOSALAMINYL-R-atom16" order="1"/> <bond id="N-ACETYL-D-GALACTOSALAMINYL-R-bond3" atomRefs="N-ACETYL-D-GALACTOSALAMINYL-R-atom12 N-ACETYL-D-GALACTOSALAMINYL-R-atom14" order="1"/> <bond id="N-ACETYL-D-GALACTOSALAMINYL-R-bond4" atomRefs="N-ACETYL-D-GALACTOSALAMINYL-R-atom12 N-ACETYL-D-GALACTOSALAMINYL-R-at…

CHEBI CHEBI:33409
structure data: InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-1

CHEBI CHEBI:15646
structure data: InChI%3D1S%2FC20H32O5%2Fc21-17-10-6-2-1-3-7-12-18%2822%2913-8-4-5-9-14-19%2823%2915-11-16-20%2824%2925%2Fh3-5%2C7-9%2C13-14%2C18-19%2C21-23H%2C1-2%2C6%2C10-12%2C15-17H2%2C%28H%2C24%2C25%29%2Fb5-4%2B%2C7-3-%2C13-8%2B%2C14-9-%2Ft18-%2C19-%2Fm1%2Fs1

CHEBI CHEBI:17597
structure data: InChI%3D1S%2FC7H6O2%2Fc8-5-6-1-3-7%289%294-2-6%2Fh1-5%2C9H

CHEBI CHEBI:6570
structure data: InChI%3D1S%2FC30H50O%2Fc1-19%282%2920-11-14-27%285%2917-18-29%287%2921%2825%2820%2927%299-10-23-28%286%2915-13-24%2831%2926%283%2C4%2922%2828%2912-16-30%2823%2C29%298%2Fh20-25%2C31H%2C1%2C9-18H2%2C2-8H3%2Ft20-%2C21%2B%2C22-%2C23%2B%2C24-%2C25%2B%2C27%2B%2C28-%2C29%2B%2C30%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure161237
structure data: <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom1" elementType="C" x2="78395.0" y2="-152875.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom2" elementType="C" x2="71250.0" y2="-148750.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom3" elementType="C" x2="64105.0" y2="-152875.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom4" elementType="C" x2="56961.0" y2="-148750.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom5" elementType="O" x2="78395.0" y2="-161125.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom6" elementType="O" x2="85539.0" y2="-148750.0" formalCharge="-1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom7" elementType="O" x2="56961.0" y2="-140500.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom8" elementType="N" x2="71250.0" y2="-140500.0" formalCharge="1"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom9" elementType="C" x2="62616.0" y2="-123708.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom10" elementType="O" x2="65236.0" y2="-134180.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom11" elementType="O" x2="21402.0" y2="-159245.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom12" elementType="C" x2="21424.0" y2="-150984.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom13" elementType="N" x2="50850.0" y2="-136366.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom14" elementType="O" x2="36611.0" y2="-151849.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom15" elementType="C" x2="61257.0" y2="-130917.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom16" elementType="C" x2="36653.0" y2="-135503.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom17" elementType="C" x2="28692.0" y2="-147367.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom18" elementType="C" x2="42899.0" y2="-148230.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom19" elementType="C" x2="42920.0" y2="-139969.0"/> <atom id="N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F-atom20" elementType="C" x2="28713.0" y2="-139117.0"/> <atom id="N4-N…

biopax-level3ChemicalStructure160148
structure data: <atom id="CPD-5166-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5166-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5166-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5166-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5166-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5166-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5166-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5166-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5166-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5166-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5166-atom11" elementType="C" x2="-70160.0" y2="-363740.0"/> <atom id="CPD-5166-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5166-atom13" elementType="C" x2="1280.0" y2="-404990.0"/> <atom id="CPD-5166-atom14" elementType="C" x2="-141610.0" y2="-404990.0"/> <atom id="CPD-5166-atom15" elementType="C" x2="-427390.0" y2="-734990.0"/> <atom id="CPD-5166-atom16" elementType="C" x2="-355940.0" y2="-776240.0"/> <atom id="CPD-5166-atom17" elementType="C" x2="-498840.0" y2="-776240.0"/> <atom id="CPD-5166-atom18" elementType="C" x2="-427390.0" y2="-652490.0"/> <atom id="CPD-5166-atom19" elementType="C" x2="-213060.0" y2="-528740.0"/> <atom id="CPD-5166-atom20" elementType="C" x2="-141610.0" y2="-487490.0"/> <atom id="CPD-5166-atom21" elementType="C" x2="-213060.0" y2="-611240.0"/> <atom id="CPD-5166-atom22" elementType="C" x2="-141610.0" y2="-652490.0"/> <atom id="CPD-5166-atom23" elementType="C" x2="-284500.0" y2="-652490.0"/> <atom id="CPD-5166-atom24" elementType="C" x2="-355940.0" y2="-611240.0"/> <atom id="CPD-5166-atom25" elementType="C" x2="-641730.0" y2="-776240.0"/> <atom id="CPD-5166-atom26" elementType="C" x2="-570280.0" y2="-734990.0"/> <atom id="CPD-5166-atom27" elementType="C" x2="-641730.0" y2="-858740.0"/> <atom id="CPD-5…

CHEBI CHEBI:17026
structure data: InChI%3D1S%2FC21H30O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh12%2C16-19H%2C4-11H2%2C1-3H3%2Ft16-%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1

CHEBI CHEBI:17585
structure data: InChI%3D1S%2FC16H30O%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17%2Fh14-16H%2C2-13H2%2C1H3%2Fb15-14%2B

CHEBI CHEBI:63082
structure data: InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29

CHEBI CHEBI:33033
structure data: InChI%3D1S%2FC5H8O3%2Fc1-2-3-4%286%295%287%298%2Fh2-3H2%2C1H3%2C%28H%2C7%2C8%29

biopax-level3ChemicalStructure167229
structure data: <atom id="CPD-8609-atom1" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="CPD-8609-atom2" elementType="C" x2="8883.0" y2="-3418.0"/> <atom id="CPD-8609-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="CPD-8609-atom4" elementType="C" x2="2013.0" y2="0.0"/> <atom id="CPD-8609-atom5" elementType="C" x2="846.0" y2="0.0"/> <atom id="CPD-8609-atom6" elementType="C" x2="4405.0" y2="-3910.0"/> <atom id="CPD-8609-atom7" elementType="C" x2="2143.0" y2="-2646.0"/> <atom id="CPD-8609-atom8" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-8609-atom9" elementType="C" x2="7524.0" y2="-3860.0"/> <atom id="CPD-8609-atom10" elementType="C" x2="5103.0" y2="-2010.0"/> <atom id="CPD-8609-atom11" elementType="C" x2="6718.0" y2="-3688.0"/> <atom id="CPD-8609-atom12" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="CPD-8609-atom13" elementType="C" x2="3573.0" y2="-996.0"/> <atom id="CPD-8609-atom14" elementType="C" x2="2889.0" y2="-3090.0"/> <atom id="CPD-8609-atom15" elementType="C" x2="6165.0" y2="-4301.0"/> <atom id="CPD-8609-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-8609-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-8609-atom18" elementType="C" x2="3604.0" y2="-3503.0"/> <atom id="CPD-8609-atom19" elementType="C" x2="1429.0" y2="-2234.0"/> <atom id="CPD-8609-atom20" elementType="C" x2="8077.0" y2="-3246.0"/> <atom id="CPD-8609-atom21" elementType="C" x2="3604.0" y2="-1852.0"/> <atom id="CPD-8609-atom22" elementType="C" x2="4319.0" y2="-2265.0"/> <atom id="CPD-8609-atom23" elementType="C" x2="2889.0" y2="-2265.0"/> <atom id="CPD-8609-atom24" elementType="C" x2="5358.0" y2="-4130.0"/> <atom id="CPD-8609-atom25" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-8609-atom26" elementType="C" x2="5103.0" y2="-3345.0"/> <atom id="CPD-8609-atom27" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-8609-atom28" elementType="C" x2="1429.0" y2="-583.0"/> <atom id="CPD-8609-atom29" elementType="C" x2="4319.0" y2="-3090.0"/>…

CHEBI CHEBI:59265
structure data: InChI%3D1S%2FC16H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2817%2918%2Fh7-8H%2C2-6%2C9-15H2%2C1H3%2C%28H%2C17%2C18%29%2Fb8-7%2B

biopax-level3ChemicalStructure144838
structure data: <cml> <molecule id="Cyclic-3-5-Ribonucleoside-Monophosphates" title="a nucleoside 3',5'-cyclic phosphate" formalCharge="-1" dictRef="dictCyclic-3-5-Ribonucleoside-Monophosphates"> <atomArray> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom1" elementType="O" x2="5616.0" y2="-1592.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom2" elementType="O" x2="7302.0" y2="-1530.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom3" elementType="C" x2="6877.0" y2="-2970.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom4" elementType="O" x2="6391.0" y2="-2517.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom5" elementType="O" x2="8193.0" y2="-3254.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom6" elementType="C" x2="7533.0" y2="-2775.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom7" elementType="C" x2="7782.0" y2="-1989.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom8" elementType="C" x2="8608.0" y2="-1989.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom9" elementType="C" x2="8862.0" y2="-2775.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom10" elementType="P" x2="6459.0" y2="-1593.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom11" elementType="O" x2="6459.0" y2="-776.0" formalCharge="-1"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom12" elementType="O" x2="9094.0" y2="-1321.0"/> <atom id="Cyclic-3-5-Ribonucleoside-Monophosphates-atom13" elementType="R" x2="9646.0" y2="-3034.0"/> </atomArray> <bondArray> <bond id="Cyclic-3-5-Ribonucleoside-Monophosphates-bond1" atomRefs="Cyclic-3-5-Ribonucleoside-Monophosphates-atom9 Cyclic-3-5-Ribonucleoside-Monophosphates-atom13" order="1"/> <bond id="Cyclic-3-5-Ribonucleoside-Monophosphates-bond2" atomRefs="Cyclic-3-5-Ribonucleoside-Monophosphates-atom8 Cyclic-3-5-Ribonucleoside-Monophosphates-atom9" order="1"/> <bond id="Cyclic-3-5-Ribonucleoside-Monophosphates-bond3" atomRefs="Cyclic-3-5-Ribonucleoside-Mono…

CHEBI CHEBI:17071
structure data: InChI%3D1S%2FC2H4O2%2Fc3-1-2-4%2Fh1%2C4H%2C2H2

biopax-level3ChemicalStructure170111
structure data: <atom id="CALCIDIOL-atom1" elementType="C" x2="27249.0" y2="-18227.0"/> <atom id="CALCIDIOL-atom2" elementType="C" x2="45117.0" y2="-48389.0"/> <atom id="CALCIDIOL-atom3" elementType="C" x2="86535.0" y2="-43971.0"/> <atom id="CALCIDIOL-atom4" elementType="C" x2="78296.0" y2="-35726.0"/> <atom id="CALCIDIOL-atom5" elementType="C" x2="39310.0" y2="-34945.0"/> <atom id="CALCIDIOL-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CALCIDIOL-atom7" elementType="O" x2="84932.0" y2="-39089.0"/> <atom id="CALCIDIOL-atom8" elementType="C" x2="34700.0" y2="-5269.0"/> <atom id="CALCIDIOL-atom9" elementType="C" x2="27249.0" y2="-1727.0"/> <atom id="CALCIDIOL-atom10" elementType="C" x2="64347.0" y2="-43410.0"/> <atom id="CALCIDIOL-atom11" elementType="C" x2="12960.0" y2="-18227.0"/> <atom id="CALCIDIOL-atom12" elementType="C" x2="30950.0" y2="-20762.0"/> <atom id="CALCIDIOL-atom13" elementType="C" x2="56983.0" y2="-47130.0"/> <atom id="CALCIDIOL-atom14" elementType="C" x2="5815.0" y2="-14102.0"/> <atom id="CALCIDIOL-atom15" elementType="C" x2="55087.0" y2="-22283.0"/> <atom id="CALCIDIOL-atom16" elementType="C" x2="56175.0" y2="-30461.0"/> <atom id="CALCIDIOL-atom17" elementType="C" x2="71138.0" y2="-48095.0"/> <atom id="CALCIDIOL-atom18" elementType="C" x2="34994.0" y2="-27954.0"/> <atom id="CALCIDIOL-atom19" elementType="C" x2="12960.0" y2="-1727.0"/> <atom id="CALCIDIOL-atom20" elementType="C" x2="43142.0" y2="-13743.0"/> <atom id="CALCIDIOL-atom21" elementType="C" x2="20104.0" y2="-14102.0"/> <atom id="CALCIDIOL-atom22" elementType="C" x2="34895.0" y2="-13517.0"/> <atom id="CALCIDIOL-atom23" elementType="C" x2="20104.0" y2="-5852.0"/> <atom id="CALCIDIOL-atom24" elementType="C" x2="50449.0" y2="-42093.0"/> <atom id="CALCIDIOL-atom25" elementType="C" x2="5815.0" y2="-5852.0"/> <atom id="CALCIDIOL-atom26" elementType="C" x2="46780.0" y2="-21147.0"/> <atom id="CALCIDIOL-atom27" elementType="C" x2="48734.0" y2="-34024.0"/> <atom id="CALCIDIOL-atom28" elementType="C" x2="78286.…

CHEBI CHEBI:28540
structure data: InChI%3D1S%2FC27H48O3%2Fc1-17%2816-28%296-5-7-18%282%2921-8-9-22-25-23%2811-13-27%2821%2C22%294%2926%283%2912-10-20%2829%2914-19%2826%2915-24%2825%2930%2Fh17-25%2C28-30H%2C5-16H2%2C1-4H3%2Ft17%3F%2C18-%2C19%2B%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:57978
structure data: InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)/p-1

biopax-level3ChemicalStructure162283
structure data: <atom id="CPD-10260-atom1" elementType="C" x2="173237.0" y2="-112546.0"/> <atom id="CPD-10260-atom2" elementType="O" x2="107206.0" y2="-1006.0"/> <atom id="CPD-10260-atom3" elementType="C" x2="166067.0" y2="-108377.0"/> <atom id="CPD-10260-atom4" elementType="C" x2="165902.0" y2="-100044.0"/> <atom id="CPD-10260-atom5" elementType="C" x2="158732.0" y2="-96038.0"/> <atom id="CPD-10260-atom6" elementType="C" x2="158559.0" y2="-87706.0"/> <atom id="CPD-10260-atom7" elementType="C" x2="151397.0" y2="-83372.0"/> <atom id="CPD-10260-atom8" elementType="C" x2="151224.0" y2="-75032.0"/> <atom id="CPD-10260-atom9" elementType="C" x2="143890.0" y2="-71034.0"/> <atom id="CPD-10260-atom10" elementType="C" x2="143725.0" y2="-62693.0"/> <atom id="CPD-10260-atom11" elementType="C" x2="136554.0" y2="-58523.0"/> <atom id="CPD-10260-atom12" elementType="C" x2="136389.0" y2="-50192.0"/> <atom id="CPD-10260-atom13" elementType="C" x2="129220.0" y2="-46021.0"/> <atom id="CPD-10260-atom14" elementType="C" x2="129055.0" y2="-37681.0"/> <atom id="CPD-10260-atom15" elementType="C" x2="121884.0" y2="-33683.0"/> <atom id="CPD-10260-atom16" elementType="C" x2="121710.0" y2="-25343.0"/> <atom id="CPD-10260-atom17" elementType="C" x2="114549.0" y2="-21181.0"/> <atom id="CPD-10260-atom18" elementType="C" x2="114376.0" y2="-13005.0"/> <atom id="CPD-10260-atom19" elementType="S" x2="100035.0" y2="-13170.0"/> <atom id="CPD-10260-atom20" elementType="C" x2="107206.0" y2="-9173.0"/> <atom id="CPD-10260-atom21" elementType="O" x2="107405.0" y2="-25306.0"/> <atom id="CPD-10260-atom22" elementType="C" x2="47489.0" y2="34561.0"/> <atom id="CPD-10260-atom23" elementType="O" x2="15453.0" y2="15603.0" formalCharge="-1"/> <atom id="CPD-10260-atom24" elementType="O" x2="49982.0" y2="49048.0"/> <atom id="CPD-10260-atom25" elementType="O" x2="29054.0" y2="658.0" formalCharge="-1"/> <atom id="CPD-10260-atom26" elementType="N" x2="55299.0" y2="31907.0"/> <atom id="CPD-10260-atom27" elementType="N" x2="63010.0" y2=…

CHEBI CHEBI:17442
structure data: InChI%3D1S%2FC10H9NO4%2Fc11-7-4-2-1-3-6%287%298%2812%295-9%2813%2910%2814%2915%2Fh1-4H%2C5%2C11H2%2C%28H%2C14%2C15%29

biopax-level3ChemicalStructure167141
structure data: <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom1" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom2" elementType="C" x2="8883.0" y2="-3418.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom4" elementType="C" x2="2013.0" y2="0.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom5" elementType="C" x2="846.0" y2="0.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom6" elementType="C" x2="4405.0" y2="-3910.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom7" elementType="C" x2="2143.0" y2="-2646.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom8" elementType="O" x2="0.0" y2="-583.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom9" elementType="C" x2="7524.0" y2="-3860.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom10" elementType="C" x2="5103.0" y2="-2010.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom11" elementType="C" x2="6718.0" y2="-3688.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom12" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom13" elementType="C" x2="3573.0" y2="-996.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom14" elementType="C" x2="2889.0" y2="-3090.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom15" elementType="C" x2="6165.0" y2="-4301.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom18" elementType="C" x2="3604.0" y2="-3503.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom19" elementType="C" x2="1429.0" y2="-2234.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom20" elementType="C" x2="8077.0" y2="-3246.0"/> <atom id="44-DIMETHYL-CHOLESTA-812-24-TRIENOL-atom21" elementType="C" x2="3604.0" y2=…

biopax-level3ChemicalStructure135726
structure data: <cml> <molecule id="Heparan-sulfate-L-iduronate" title="[heparan-sulfate]-alpha-L-iduronate" formalCharge="0" dictRef="dictHeparan-sulfate-L-iduronate"> <atomArray> <atom id="Heparan-sulfate-L-iduronate-atom1" elementType="O" x2="1303.0" y2="1165.0"/> <atom id="Heparan-sulfate-L-iduronate-atom2" elementType="O" x2="1160.0" y2="1165.0"/> <atom id="Heparan-sulfate-L-iduronate-atom3" elementType="O" x2="1303.0" y2="1329.0"/> <atom id="Heparan-sulfate-L-iduronate-atom4" elementType="O" x2="1161.0" y2="1412.0"/> <atom id="Heparan-sulfate-L-iduronate-atom5" elementType="O" x2="1017.0" y2="1082.0"/> <atom id="Heparan-sulfate-L-iduronate-atom6" elementType="O" x2="946.0" y2="1205.0"/> <atom id="Heparan-sulfate-L-iduronate-atom7" elementType="C" x2="1232.0" y2="1206.0"/> <atom id="Heparan-sulfate-L-iduronate-atom8" elementType="C" x2="1232.0" y2="1288.0"/> <atom id="Heparan-sulfate-L-iduronate-atom9" elementType="C" x2="1089.0" y2="1205.0"/> <atom id="Heparan-sulfate-L-iduronate-atom10" elementType="C" x2="1161.0" y2="1329.0"/> <atom id="Heparan-sulfate-L-iduronate-atom11" elementType="C" x2="1089.0" y2="1287.0"/> <atom id="Heparan-sulfate-L-iduronate-atom12" elementType="C" x2="1017.0" y2="1165.0"/> <atom id="Heparan-sulfate-L-iduronate-atom13" elementType="O" x2="1016.0" y2="1327.0"/> <atom id="Heparan-sulfate-L-iduronate-atom14" elementType="R1" x2="945.0" y2="1368.0"/> <atom id="Heparan-sulfate-L-iduronate-atom15" elementType="R2" x2="1375.0" y2="1123.0"/> </atomArray> <bondArray> <bond id="Heparan-sulfate-L-iduronate-bond1" atomRefs="Heparan-sulfate-L-iduronate-atom7 Heparan-sulfate-L-iduronate-atom1" order="1"/> <bond id="Heparan-sulfate-L-iduronate-bond2" atomRefs="Heparan-sulfate-L-iduronate-atom2 Heparan-sulfate-L-iduronate-atom7" order="1"/> <bond id="Heparan-sulfate-L-iduronate-bond3" atomRefs="Heparan-sulfate-L-iduronate-atom2 Heparan-sulfate-L-iduronate-atom9" order="1"/> <bond id="Heparan-sulfate-L-iduronate-bond4" atomRefs="Heparan-sulfate-L-iduronate-atom8 He…

biopax-level3ChemicalStructure169807
structure data: <atom id="NITRIC-OXIDE-atom1" elementType="N" x2="-413.0" y2="-413.0" formalCharge="-1"/> <atom id="NITRIC-OXIDE-atom2" elementType="O" x2="412.0" y2="-413.0"/> <bond id="NITRIC-OXIDE-bond1" atomRefs="NITRIC-OXIDE-atom2 NITRIC-OXIDE-atom1" order="2"/> <formula concise="O 1 N 1"/> 31.014 [N-]=O

CHEBI CHEBI:34071
structure data: InChI%3D1S%2FC23H38O4%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23%2826%2927-21-22%2825%2920-24%2Fh6-7%2C9-10%2C12-13%2C15-16%2C22%2C24-25H%2C2-5%2C8%2C11%2C14%2C17-21H2%2C1H3%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-%2Ft22-%2Fm0%2Fs1

CHEBI CHEBI:17697
structure data: InChI%3D1S%2FC12H14N2O2%2Fc1-8%2815%2913-5-4-9-7-14-12-3-2-10%2816%296-11%289%2912%2Fh2-3%2C6-7%2C14%2C16H%2C4-5H2%2C1H3%2C%28H%2C13%2C15%29

CHEBI CHEBI:58432
structure data: InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%2Fp%2B1

biopax-level3ChemicalStructure144163
structure data: <cml> <molecule id="HEPARIN" title="heparin" formalCharge="-4" dictRef="dictHEPARIN"> <atomArray> <atom id="HEPARIN-atom1" elementType="C" x2="-183950.0" y2="81880.0"/> <atom id="HEPARIN-atom2" elementType="C" x2="-183950.0" y2="-630.0"/> <atom id="HEPARIN-atom3" elementType="C" x2="-255390.0" y2="-41880.0"/> <atom id="HEPARIN-atom4" elementType="C" x2="-112500.0" y2="123130.0"/> <atom id="HEPARIN-atom5" elementType="C" x2="-41050.0" y2="81880.0"/> <atom id="HEPARIN-atom6" elementType="C" x2="-41050.0" y2="-630.0"/> <atom id="HEPARIN-atom7" elementType="C" x2="112890.0" y2="-41880.0"/> <atom id="HEPARIN-atom8" elementType="C" x2="184340.0" y2="-630.0"/> <atom id="HEPARIN-atom9" elementType="C" x2="255790.0" y2="-41880.0"/> <atom id="HEPARIN-atom10" elementType="C" x2="255790.0" y2="-124380.0"/> <atom id="HEPARIN-atom11" elementType="C" x2="112890.0" y2="-124380.0"/> <atom id="HEPARIN-atom12" elementType="C" x2="41450.0" y2="-165630.0"/> <atom id="HEPARIN-atom13" elementType="N" x2="327230.0" y2="-630.0"/> <atom id="HEPARIN-atom14" elementType="S" x2="-41050.0" y2="-248130.0"/> <atom id="HEPARIN-atom15" elementType="S" x2="71640.0" y2="194570.0"/> <atom id="HEPARIN-atom16" elementType="S" x2="409730.0" y2="-630.0"/> <atom id="HEPARIN-atom17" elementType="O" x2="-255390.0" y2="-124380.0"/> <atom id="HEPARIN-atom18" elementType="O" x2="-326840.0" y2="-630.0" formalCharge="-1"/> <atom id="HEPARIN-atom19" elementType="O" x2="-255400.0" y2="123130.0"/> <atom id="HEPARIN-atom20" elementType="O" x2="-112500.0" y2="-41880.0"/> <atom id="HEPARIN-atom21" elementType="O" x2="-112500.0" y2="205630.0"/> <atom id="HEPARIN-atom22" elementType="O" x2="-8050.0" y2="215930.0" formalCharge="-1"/> <atom id="HEPARIN-atom23" elementType="O" x2="71640.0" y2="277070.0"/> <atom id="HEPARIN-atom24" elementType="O" x2="154140.0" y2="194570.0"/> <atom id="HEPARIN-atom25" elementType="O" x2="30390.0" y2="-41880.0"/> <atom id="HEPARIN-atom26" elementType="O" x2="184340.0" y2="81870.0"/> <atom id=…

CHEBI CHEBI:18420
structure data: InChI%3D1S%2FMg%2Fq%2B2

CHEBI CHEBI:17544
structure data: InChI%3D1S%2FCH2O3%2Fc2-1%283%294%2Fh%28H2%2C2%2C3%2C4%29%2Fp-1

CHEBI CHEBI:48460
structure data: InChI%3D1S%2FC5H11O7P%2Fc6-2-4-3%287%291-5%2811-4%2912-13%288%2C9%2910%2Fh3-7H%2C1-2H2%2C%28H2%2C8%2C9%2C10%29%2Ft3-%2C4%2B%2C5-%2Fm0%2Fs1

CHEBI CHEBI:48498
structure data: InChI%3D1S%2FC6H6S%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H

CHEBI CHEBI:8504
structure data: InChI%3D1S%2FC20H38O2%2Fc1-2-3-4-5-6-9-13-18-15-12-16-19%2818%2914-10-7-8-11-17-20%2821%2922%2Fh18-19H%2C2-17H2%2C1H3%2C%28H%2C21%2C22%29%2Ft18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:3663
structure data: InChI%3D1S%2FC43H76O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41%2844%2945-36-28-30-42%285%2935%2832-36%2924-25-37-39-27-26-38%2834%284%2922-20-21-33%282%293%2943%2839%2C6%2931-29-40%2837%2942%2Fh24%2C33-34%2C36-40H%2C7-23%2C25-32H2%2C1-6H3%2Ft34-%2C36%2B%2C37%2B%2C38-%2C39%2B%2C40%2B%2C42%2B%2C43-%2Fm1%2Fs1

biopax-level3ChemicalStructure164648
structure data: <atom id="CPD-10891-atom1" elementType="CL" x2="49509.0" y2="-21904.0"/> <atom id="CPD-10891-atom2" elementType="CL" x2="35220.0" y2="-30154.0"/> <atom id="CPD-10891-atom3" elementType="N" x2="42365.0" y2="15222.0"/> <atom id="CPD-10891-atom4" elementType="N" x2="28075.0" y2="15222.0"/> <atom id="CPD-10891-atom5" elementType="N" x2="20930.0" y2="2846.0"/> <atom id="CPD-10891-atom6" elementType="N" x2="35220.0" y2="27597.0"/> <atom id="CPD-10891-atom7" elementType="C" x2="35220.0" y2="2846.0"/> <atom id="CPD-10891-atom8" elementType="C" x2="35220.0" y2="-5404.0"/> <atom id="CPD-10891-atom9" elementType="C" x2="42365.0" y2="6971.0"/> <atom id="CPD-10891-atom10" elementType="C" x2="28075.0" y2="6971.0"/> <atom id="CPD-10891-atom11" elementType="C" x2="42365.0" y2="-9529.0"/> <atom id="CPD-10891-atom12" elementType="C" x2="28075.0" y2="-9529.0"/> <atom id="CPD-10891-atom13" elementType="C" x2="49509.0" y2="2846.0"/> <atom id="CPD-10891-atom14" elementType="C" x2="42365.0" y2="-17779.0"/> <atom id="CPD-10891-atom15" elementType="C" x2="28075.0" y2="-17779.0"/> <atom id="CPD-10891-atom16" elementType="C" x2="35220.0" y2="19347.0"/> <atom id="CPD-10891-atom17" elementType="C" x2="35220.0" y2="-21904.0"/> <bond id="CPD-10891-bond1" atomRefs="CPD-10891-atom1 CPD-10891-atom14" order="1"/> <bond id="CPD-10891-bond2" atomRefs="CPD-10891-atom2 CPD-10891-atom17" order="1"/> <bond id="CPD-10891-bond3" atomRefs="CPD-10891-atom3 CPD-10891-atom9" order="1"/> <bond id="CPD-10891-bond4" atomRefs="CPD-10891-atom3 CPD-10891-atom16" order="2"/> <bond id="CPD-10891-bond5" atomRefs="CPD-10891-atom4 CPD-10891-atom10" order="2"/> <bond id="CPD-10891-bond6" atomRefs="CPD-10891-atom4 CPD-10891-atom16" order="1"/> <bond id="CPD-10891-bond7" atomRefs="CPD-10891-atom5 CPD-10891-atom10" order="1"/> <bond id="CPD-10891-bond8" atomRefs="CPD-10891-atom6 CPD-10891-atom16" order="1"/> <bond id="CPD-10891-bond9" atomRefs="CPD-10891-atom7 CPD-10891-atom8" order="1"/> <bond id="CPD-10891-bond10" atomRefs="…

CHEBI CHEBI:53486
structure data: InChI%3D1S%2FC20H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh6-7%2C9-10%2C12-13H%2C2-5%2C8%2C11%2C14-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fb7-6-%2C10-9-%2C13-12-

CHEBI CHEBI:38354
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1%2Fb3-2-

CHEBI CHEBI:63618
structure data: InChI%3D1S%2FC23H36O7%2Fc1-4-13%282%2923%2829%2930-20-11-17%2825%299-15-6-5-14%283%2919%2822%2815%2920%298-7-16%2824%2910-18%2826%2912-21%2827%2928%2Fh5-6%2C9%2C13-14%2C16-20%2C22%2C24-26H%2C4%2C7-8%2C10-12H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft13-%2C14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2C20-%2C22-%2Fm0%2Fs1

CHEBI CHEBI:326268
structure data: InChI%3D1S%2FC4H12N2%2Fc5-3-1-2-4-6%2Fh1-6H2%2Fp%2B2

CHEBI CHEBI:29132
structure data: InChI%3D1S%2FC8H7NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5H%2C1H3

CHEBI CHEBI:15377
structure data: InChI%3D1S%2FH2O%2Fh1H2

CHEBI CHEBI:59191
structure data: InChI%3D1S%2FC28H31NO5.CH4O3S%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%3B1-5%282%2C3%294%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft23-%3B%2Fm1.%2Fs1

biopax-level3ChemicalStructure147361
structure data: <atom id="CPD-6701-atom1" elementType="O" x2="6145.0" y2="-1423.0"/> <atom id="CPD-6701-atom2" elementType="O" x2="6955.0" y2="-2862.0" formalCharge="-1"/> <atom id="CPD-6701-atom3" elementType="O" x2="7293.0" y2="-1784.0" formalCharge="-1"/> <atom id="CPD-6701-atom4" elementType="O" x2="5795.0" y2="-4126.0"/> <atom id="CPD-6701-atom5" elementType="O" x2="5795.0" y2="-2476.0"/> <atom id="CPD-6701-atom6" elementType="O" x2="4366.0" y2="-4951.0"/> <atom id="CPD-6701-atom7" elementType="O" x2="4366.0" y2="-1650.0"/> <atom id="CPD-6701-atom8" elementType="O" x2="2937.0" y2="-4126.0"/> <atom id="CPD-6701-atom9" elementType="O" x2="2937.0" y2="-2476.0"/> <atom id="CPD-6701-atom10" elementType="C" x2="5081.0" y2="-3713.0"/> <atom id="CPD-6701-atom11" elementType="C" x2="5081.0" y2="-2889.0"/> <atom id="CPD-6701-atom12" elementType="C" x2="4366.0" y2="-4126.0"/> <atom id="CPD-6701-atom13" elementType="C" x2="4366.0" y2="-2476.0"/> <atom id="CPD-6701-atom14" elementType="C" x2="3652.0" y2="-3713.0"/> <atom id="CPD-6701-atom15" elementType="C" x2="3652.0" y2="-2889.0"/> <atom id="CPD-6701-atom16" elementType="P" x2="6550.0" y2="-2142.0"/> <bond id="CPD-6701-bond1" atomRefs="CPD-6701-atom14 CPD-6701-atom15" order="1"/> <bond id="CPD-6701-bond2" atomRefs="CPD-6701-atom13 CPD-6701-atom15" order="1"/> <bond id="CPD-6701-bond3" atomRefs="CPD-6701-atom12 CPD-6701-atom14" order="1"/> <bond id="CPD-6701-bond4" atomRefs="CPD-6701-atom11 CPD-6701-atom13" order="1"/> <bond id="CPD-6701-bond5" atomRefs="CPD-6701-atom10 CPD-6701-atom12" order="1"/> <bond id="CPD-6701-bond6" atomRefs="CPD-6701-atom10 CPD-6701-atom11" order="1"/> <bond id="CPD-6701-bond7" atomRefs="CPD-6701-atom15 CPD-6701-atom9" order="1"/> <bond id="CPD-6701-bond8" atomRefs="CPD-6701-atom14 CPD-6701-atom8" order="1"/> <bond id="CPD-6701-bond9" atomRefs="CPD-6701-atom13 CPD-6701-atom7" order="1"/> <bond id="CPD-6701-bond10" atomRefs="CPD-6701-atom12 CPD-6701-atom6" order="1"/> <bond id="CPD-6701-bond11" atomRefs="CPD-6701-…

biopax-level3ChemicalStructure143334
structure data: <cml> <molecule id="Peptidoglycan-With-Cleaved-Nac" title="a peptidoglycan with cleaved N-acetyl-glucosamine" formalCharge="-2"> <atomArray> <atom id="Peptidoglycan-With-Cleaved-Nac-atom1" elementType="C" x2="-5980.0" y2="-15375.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom2" elementType="O" x2="-5980.0" y2="-23625.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom3" elementType="C" x2="-13125.0" y2="-3000.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom4" elementType="C" x2="-13125.0" y2="-11250.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom5" elementType="N" x2="1164.0" y2="-11250.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom6" elementType="C" x2="1419.0" y2="5248.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom7" elementType="C" x2="8499.0" y2="1013.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom8" elementType="C" x2="8372.0" y2="-7236.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom9" elementType="C" x2="15452.0" y2="-11471.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom10" elementType="O" x2="15325.0" y2="-19720.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom11" elementType="C" x2="1546.0" y2="13497.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom12" elementType="O" x2="8754.0" y2="17511.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom13" elementType="O" x2="-5534.0" y2="17732.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom14" elementType="N" x2="22760.0" y2="-7217.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom15" elementType="R" x2="29573.0" y2="5344.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom16" elementType="C" x2="29793.0" y2="-2904.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom17" elementType="C" x2="37045.0" y2="-6837.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom18" elementType="O" x2="37744.0" y2="-14145.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom19" elementType="N" x2="44077.0" y2="-2523.0"/> <atom id="Peptidoglycan-With-Cleaved-Nac-atom20" elementType="C" x2="58367.0" y2="-2523.0"/> <atom id…

CHEBI CHEBI:30089
structure data: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

biopax-level3ChemicalStructure160087
structure data: <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLICHOL-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="OLIGOSACCHARIDE-DIPHOSPHODOLIC…

CHEBI CHEBI:10782
structure data: InChI%3D1S%2FC10H16O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3%2C10-11H%2C1%2C4-7H2%2C2H3%2Ft10-%2Fm1%2Fs1

biopax-level3ChemicalStructure142187
structure data: <cml> <molecule id="1-4-alpha-D-Glucan" title="a 1,4-alpha-D-glucan" formalCharge="0" dictRef="dict1-4-alpha-D-Glucan"> <atomArray> <atom id="1-4-alpha-D-Glucan-atom1" elementType="O" x2="-11196.0" y2="-15322.0"/> <atom id="1-4-alpha-D-Glucan-atom2" elementType="C" x2="-18340.0" y2="-11197.0"/> <atom id="1-4-alpha-D-Glucan-atom3" elementType="C" x2="-18340.0" y2="-2946.0"/> <atom id="1-4-alpha-D-Glucan-atom4" elementType="C" x2="-11196.0" y2="1179.0"/> <atom id="1-4-alpha-D-Glucan-atom5" elementType="C" x2="-4052.0" y2="-2946.0"/> <atom id="1-4-alpha-D-Glucan-atom6" elementType="C" x2="-4052.0" y2="-11197.0"/> <atom id="1-4-alpha-D-Glucan-atom7" elementType="O" x2="3093.0" y2="-15322.0"/> <atom id="1-4-alpha-D-Glucan-atom8" elementType="O" x2="3093.0" y2="1179.0"/> <atom id="1-4-alpha-D-Glucan-atom9" elementType="O" x2="-11196.0" y2="9429.0"/> <atom id="1-4-alpha-D-Glucan-atom10" elementType="R" x2="-25485.0" y2="1179.0"/> <atom id="1-4-alpha-D-Glucan-atom11" elementType="C" x2="-25485.0" y2="-15322.0"/> <atom id="1-4-alpha-D-Glucan-atom12" elementType="O" x2="-32630.0" y2="-11197.0"/> <atom id="1-4-alpha-D-Glucan-atom13" elementType="R" x2="11343.0" y2="-15322.0"/> </atomArray> <bondArray> <bond id="1-4-alpha-D-Glucan-bond1" atomRefs="1-4-alpha-D-Glucan-atom1 1-4-alpha-D-Glucan-atom2" order="1"/> <bond id="1-4-alpha-D-Glucan-bond2" atomRefs="1-4-alpha-D-Glucan-atom2 1-4-alpha-D-Glucan-atom3" order="1"/> <bond id="1-4-alpha-D-Glucan-bond3" atomRefs="1-4-alpha-D-Glucan-atom3 1-4-alpha-D-Glucan-atom4" order="1"/> <bond id="1-4-alpha-D-Glucan-bond4" atomRefs="1-4-alpha-D-Glucan-atom4 1-4-alpha-D-Glucan-atom5" order="1"/> <bond id="1-4-alpha-D-Glucan-bond5" atomRefs="1-4-alpha-D-Glucan-atom5 1-4-alpha-D-Glucan-atom6" order="1"/> <bond id="1-4-alpha-D-Glucan-bond6" atomRefs="1-4-alpha-D-Glucan-atom1 1-4-alpha-D-Glucan-atom6" order="1"/> <bond id="1-4-alpha-D-Glucan-bond7" atomRefs="1-4-alpha-D-Glucan-atom6 1-4-alpha-D-Glucan-atom7" order="1"/> <bond id="1-4-alpha-D-Gluca…

CHEBI CHEBI:42680
structure data: InChI%3D1S%2FC15H26O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11%2C16H%2C5-6%2C8%2C10%2C12H2%2C1-4H3%2Fb14-9-%2C15-11-

CHEBI CHEBI:64707
structure data: InChI%3D1S%2FC13H12OS%2Fc1-2-10-5-7-11%288-6-10%2913%2814%2912-4-3-9-15-12%2Fh3-9H%2C2H2%2C1H3

CHEBI CHEBI:63035
structure data: InChI%3D1S%2FC4H11OS%2Fc1-6%282%294-3-5%2Fh5H%2C3-4H2%2C1-2H3%2Fq%2B1

biopax-level3ChemicalStructure143592
structure data: <cml> <molecule id="Maltodextrins" title="a maltodextrin" formalCharge="0" dictRef="dictMaltodextrins"> <atomArray> <atom id="Maltodextrins-atom1" elementType="O" x2="11257.0" y2="32231.0"/> <atom id="Maltodextrins-atom2" elementType="O" x2="-3046.0" y2="40506.0"/> <atom id="Maltodextrins-atom3" elementType="R1" x2="-17347.0" y2="32231.0"/> <atom id="Maltodextrins-atom4" elementType="O" x2="-3046.0" y2="15729.0"/> <atom id="Maltodextrins-atom5" elementType="C" x2="4105.0" y2="19889.0"/> <atom id="Maltodextrins-atom6" elementType="C" x2="4105.0" y2="28116.0"/> <atom id="Maltodextrins-atom7" elementType="C" x2="-3046.0" y2="32231.0"/> <atom id="Maltodextrins-atom8" elementType="C" x2="-10243.0" y2="28116.0"/> <atom id="Maltodextrins-atom9" elementType="C" x2="-10243.0" y2="19889.0"/> <atom id="Maltodextrins-atom10" elementType="O" x2="34795.0" y2="23189.0"/> <atom id="Maltodextrins-atom11" elementType="O" x2="34795.0" y2="-1589.0"/> <atom id="Maltodextrins-atom12" elementType="C" x2="41947.0" y2="2572.0"/> <atom id="Maltodextrins-atom13" elementType="C" x2="41947.0" y2="10798.0"/> <atom id="Maltodextrins-atom14" elementType="C" x2="34795.0" y2="14914.0"/> <atom id="Maltodextrins-atom15" elementType="C" x2="27599.0" y2="10798.0"/> <atom id="Maltodextrins-atom16" elementType="C" x2="27599.0" y2="2572.0"/> <atom id="Maltodextrins-atom17" elementType="O" x2="87902.0" y2="-23075.0"/> <atom id="Maltodextrins-atom18" elementType="O" x2="87902.0" y2="-6573.0"/> <atom id="Maltodextrins-atom19" elementType="O" x2="73600.0" y2="1702.0"/> <atom id="Maltodextrins-atom20" elementType="O" x2="73600.0" y2="-23075.0"/> <atom id="Maltodextrins-atom21" elementType="C" x2="80751.0" y2="-18915.0"/> <atom id="Maltodextrins-atom22" elementType="C" x2="80751.0" y2="-10687.0"/> <atom id="Maltodextrins-atom23" elementType="C" x2="73600.0" y2="-6573.0"/> <atom id="Maltodextrins-atom24" elementType="C" x2="66403.0" y2="-10687.0"/> <atom id="Maltodextrins-atom25" elementType="C" x2="66403.0" y2="…

CHEBI CHEBI:266039
structure data: InChI%3D1S%2FC9H13NO%2Fc1-11-9-4-2-8%283-5-9%296-7-10%2Fh2-5H%2C6-7%2C10H2%2C1H3

biopax-level3ChemicalStructure173816
structure data: <atom id="CPD-3481-atom1" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-3481-atom2" elementType="C" x2="5716.0" y2="-825.0"/> <atom id="CPD-3481-atom3" elementType="C" x2="5001.0" y2="-412.0"/> <atom id="CPD-3481-atom4" elementType="C" x2="5716.0" y2="-1650.0"/> <atom id="CPD-3481-atom5" elementType="O" x2="2858.0" y2="-2475.0"/> <atom id="CPD-3481-atom6" elementType="CL" x2="0.0" y2="-1650.0"/> <atom id="CPD-3481-atom7" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-3481-atom8" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-3481-atom9" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-3481-atom10" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-3481-atom11" elementType="N" x2="4287.0" y2="-1650.0" formalCharge="1"/> <atom id="CPD-3481-atom12" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CPD-3481-atom13" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-3481-atom14" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CPD-3481-atom15" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-3481-atom16" elementType="C" x2="5001.0" y2="-1238.0"/> <bond id="CPD-3481-bond1" atomRefs="CPD-3481-atom12 CPD-3481-atom15" order="1"/> <bond id="CPD-3481-bond2" atomRefs="CPD-3481-atom12 CPD-3481-atom14" order="1"/> <bond id="CPD-3481-bond3" atomRefs="CPD-3481-atom11 CPD-3481-atom16" order="1"/> <bond id="CPD-3481-bond4" atomRefs="CPD-3481-atom11 CPD-3481-atom15" order="1"/> <bond id="CPD-3481-bond5" atomRefs="CPD-3481-atom14 CPD-3481-atom10" order="2"/> <bond id="CPD-3481-bond6" atomRefs="CPD-3481-atom10 CPD-3481-atom13" order="1"/> <bond id="CPD-3481-bond7" atomRefs="CPD-3481-atom9 CPD-3481-atom14" order="1"/> <bond id="CPD-3481-bond8" atomRefs="CPD-3481-atom13 CPD-3481-atom8" order="2"/> <bond id="CPD-3481-bond9" atomRefs="CPD-3481-atom7 CPD-3481-atom9" order="2"/> <bond id="CPD-3481-bond10" atomRefs="CPD-3481-atom8 CPD-3481-atom7" order="1"/> <bond id="CPD-3481-bond11" atomRefs="CPD-3481-atom6 CPD-3481-atom13" order="1"/>…

biopax-level3ChemicalStructure135428
structure data: <atom id="CPD-10505-atom1" elementType="C" x2="-54696.0" y2="65773.0"/> <atom id="CPD-10505-atom2" elementType="C" x2="-54696.0" y2="74064.0"/> <atom id="CPD-10505-atom3" elementType="C" x2="-47591.0" y2="78258.0"/> <atom id="CPD-10505-atom4" elementType="C" x2="-47591.0" y2="61669.0"/> <atom id="CPD-10505-atom5" elementType="C" x2="-40395.0" y2="74064.0"/> <atom id="CPD-10505-atom6" elementType="C" x2="-33148.0" y2="78229.0"/> <atom id="CPD-10505-atom7" elementType="C" x2="-25855.0" y2="73323.0"/> <atom id="CPD-10505-atom8" elementType="C" x2="-40395.0" y2="65773.0"/> <atom id="CPD-10505-atom9" elementType="C" x2="-25959.0" y2="65719.0"/> <atom id="CPD-10505-atom10" elementType="C" x2="-26004.0" y2="48912.0"/> <atom id="CPD-10505-atom11" elementType="C" x2="-33054.0" y2="52925.0"/> <atom id="CPD-10505-atom12" elementType="C" x2="-33205.0" y2="61552.0"/> <atom id="CPD-10505-atom13" elementType="C" x2="-18650.0" y2="53070.0"/> <atom id="CPD-10505-atom14" elementType="C" x2="-18679.0" y2="61476.0"/> <atom id="CPD-10505-atom15" elementType="C" x2="-4311.0" y2="61618.0"/> <atom id="CPD-10505-atom16" elementType="C" x2="-4282.0" y2="52848.0"/> <atom id="CPD-10505-atom17" elementType="C" x2="-11362.0" y2="48867.0"/> <atom id="CPD-10505-atom18" elementType="O" x2="-61820.0" y2="78134.0"/> <atom id="CPD-10505-atom19" elementType="O" x2="-19046.0" y2="78547.0"/> <atom id="CPD-10505-atom20" elementType="C" x2="-40430.0" y2="57567.0"/> <atom id="CPD-10505-atom21" elementType="C" x2="-18734.0" y2="44851.0"/> <atom id="CPD-10505-atom22" elementType="C" x2="-11334.0" y2="40665.0"/> <atom id="CPD-10505-atom23" elementType="C" x2="-4214.0" y2="36588.0"/> <atom id="CPD-10505-atom24" elementType="C" x2="-18422.0" y2="36538.0"/> <atom id="CPD-10505-atom25" elementType="C" x2="2878.0" y2="40714.0"/> <atom id="CPD-10505-atom26" elementType="C" x2="2870.0" y2="48905.0"/> <atom id="CPD-10505-atom27" elementType="C" x2="11072.0" y2="48905.0"/> <atom id="CPD-10505-atom28" elementType="C" x2…

biopax-level3ChemicalStructure144653
structure data: <atom id="CPD1G-0-atom1" elementType="C" x2="169400.0" y2="-82640.0"/> <atom id="CPD1G-0-atom2" elementType="O" x2="-126700.0" y2="168020.0"/> <atom id="CPD1G-0-atom3" elementType="O" x2="28920.0" y2="-236890.0"/> <atom id="CPD1G-0-atom4" elementType="C" x2="-199700.0" y2="45440.0"/> <atom id="CPD1G-0-atom5" elementType="C" x2="-126700.0" y2="86770.0"/> <atom id="CPD1G-0-atom6" elementType="O" x2="24790.0" y2="-82640.0"/> <atom id="CPD1G-0-atom7" elementType="O" x2="-320900.0" y2="-37180.0"/> <atom id="CPD1G-0-atom8" elementType="O" x2="-261670.0" y2="90900.0"/> <atom id="CPD1G-0-atom9" elementType="O" x2="319520.0" y2="-239640.0"/> <atom id="CPD1G-0-atom10" elementType="C" x2="-199700.0" y2="-35810.0"/> <atom id="CPD1G-0-atom11" elementType="O" x2="169400.0" y2="2750.0"/> <atom id="CPD1G-0-atom12" elementType="C" x2="-57840.0" y2="-35810.0"/> <atom id="CPD1G-0-atom13" elementType="C" x2="95030.0" y2="-126700.0"/> <atom id="CPD1G-0-atom14" elementType="O" x2="-126700.0" y2="-88150.0"/> <atom id="CPD1G-0-atom15" elementType="C" x2="169400.0" y2="-242390.0"/> <atom id="CPD1G-0-atom16" elementType="N" x2="12400.0" y2="86770.0" formalCharge="1"/> <atom id="CPD1G-0-atom17" elementType="C" x2="246520.0" y2="-126700.0"/> <atom id="CPD1G-0-atom18" elementType="O" x2="314010.0" y2="-74370.0"/> <atom id="CPD1G-0-atom19" elementType="C" x2="246520.0" y2="-198330.0"/> <atom id="CPD1G-0-atom20" elementType="C" x2="-57840.0" y2="41320.0"/> <atom id="CPD1G-0-atom21" elementType="C" x2="-261670.0" y2="-74370.0"/> <atom id="CPD1G-0-atom22" elementType="C" x2="95030.0" y2="-198330.0"/> <atom id="CPD1G-0-atom23" elementType="O" x2="166640.0" y2="-320900.0"/> <bond id="CPD1G-0-bond1" atomRefs="CPD1G-0-atom15 CPD1G-0-atom23" order="1"/> <bond id="CPD1G-0-bond2" atomRefs="CPD1G-0-atom22 CPD1G-0-atom13" order="1"/> <bond id="CPD1G-0-bond3" atomRefs="CPD1G-0-atom21 CPD1G-0-atom7" order="1"/> <bond id="CPD1G-0-bond4" atomRefs="CPD1G-0-atom20 CPD1G-0-atom12" order="1"/> <bond id="CPD1G-0-bon…

CHEBI CHEBI:16610
structure data: InChI%3D1S%2FC7H19N3%2Fc8-4-1-2-6-10-7-3-5-9%2Fh10H%2C1-9H2

biopax-level3ChemicalStructure142357
structure data: <cml> <molecule id="RH" title="an organic molecule" formalCharge="0" dictRef="dictRH"> <atomArray> <atom id="RH-atom1" elementType="R" x2="-2375.0" y2="-438.0"/> <atom id="RH-atom2" elementType="H" x2="-1550.0" y2="-438.0"/> </atomArray> <bondArray> <bond id="RH-bond1" atomRefs="RH-atom1 RH-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">[RH]</string> </molecule> </cml>

CHEBI CHEBI:17889
structure data: InChI%3D1S%2FC8H9NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2-3%2C11-12H%2C4H2%2C1H3

biopax-level3ChemicalStructure159959
structure data: <cml> <molecule id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R" title="N-acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R" formalCharge="0" dictRef="dictGLUCOSAMINYL-14-ETCETERA-MANNOSYL-R"> <atomArray> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom1" elementType="C" x2="41225.0" y2="0.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom2" elementType="C" x2="40933.0" y2="-100903.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom3" elementType="C" x2="87536.0" y2="-47833.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom4" elementType="O" x2="52540.0" y2="-7691.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom5" elementType="O" x2="26006.0" y2="-98577.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom6" elementType="O" x2="80571.0" y2="-60933.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom7" elementType="O" x2="0.0" y2="-17361.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom8" elementType="O" x2="61165.0" y2="-136560.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom9" elementType="O" x2="83556.0" y2="-13666.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom10" elementType="O" x2="81734.0" y2="-92110.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom11" elementType="O" x2="26006.0" y2="-38375.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom12" elementType="O" x2="10578.0" y2="-6513.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom13" elementType="O" x2="47068.0" y2="-136560.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom14" elementType="O" x2="89856.0" y2="-21295.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom15" elementType="O" x2="75427.0" y2="-103057.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom16" elementType="O" x2="26573.0" y2="-2052.0"/> <atom id="GLUCOSAMINYL-14-ETCETERA-MANNOSYL-R-atom17" elementType="O" x2="32805.0" y2="-128099.0"/> <atom id="GLUCOSAMINYL-14-ETCE…

CHEBI CHEBI:18743
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7%2B%2Ft15-%2Fm1%2Fs1

CHEBI CHEBI:28822
structure data: InChI%3D1S%2FC20H40O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh2-19H2%2C1H3%2C%28H%2C21%2C22%29

CHEBI CHEBI:45133
structure data: InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)

biopax-level3ChemicalStructure163776
structure data: <atom id="CPD-7650-atom1" elementType="C" x2="-334370.0" y2="-163750.0"/> <atom id="CPD-7650-atom2" elementType="C" x2="-334370.0" y2="1250.0"/> <atom id="CPD-7650-atom3" elementType="C" x2="-262930.0" y2="-40000.0"/> <atom id="CPD-7650-atom4" elementType="C" x2="-405810.0" y2="-122500.0"/> <atom id="CPD-7650-atom5" elementType="C" x2="-405810.0" y2="-40000.0"/> <atom id="CPD-7650-atom6" elementType="O" x2="-477260.0" y2="1250.0"/> <atom id="CPD-7650-atom7" elementType="C" x2="-262930.0" y2="-122500.0"/> <atom id="CPD-7650-atom8" elementType="C" x2="-191480.0" y2="-163750.0"/> <atom id="CPD-7650-atom9" elementType="C" x2="-120030.0" y2="-122500.0"/> <atom id="CPD-7650-atom10" elementType="N" x2="-120030.0" y2="-40000.0" formalCharge="1"/> <atom id="CPD-7650-atom11" elementType="O" x2="-477260.0" y2="-163750.0"/> <atom id="CPD-7650-atom12" elementType="C" x2="-559760.0" y2="-163750.0"/> <bond id="CPD-7650-bond1" atomRefs="CPD-7650-atom11 CPD-7650-atom12" order="1"/> <bond id="CPD-7650-bond2" atomRefs="CPD-7650-atom9 CPD-7650-atom10" order="1"/> <bond id="CPD-7650-bond3" atomRefs="CPD-7650-atom8 CPD-7650-atom9" order="1"/> <bond id="CPD-7650-bond4" atomRefs="CPD-7650-atom7 CPD-7650-atom8" order="1"/> <bond id="CPD-7650-bond5" atomRefs="CPD-7650-atom5 CPD-7650-atom6" order="1"/> <bond id="CPD-7650-bond6" atomRefs="CPD-7650-atom4 CPD-7650-atom11" order="1"/> <bond id="CPD-7650-bond7" atomRefs="CPD-7650-atom7 CPD-7650-atom3" order="1"/> <bond id="CPD-7650-bond8" atomRefs="CPD-7650-atom3 CPD-7650-atom2" order="2"/> <bond id="CPD-7650-bond9" atomRefs="CPD-7650-atom2 CPD-7650-atom5" order="1"/> <bond id="CPD-7650-bond10" atomRefs="CPD-7650-atom5 CPD-7650-atom4" order="2"/> <bond id="CPD-7650-bond11" atomRefs="CPD-7650-atom1 CPD-7650-atom7" order="2"/> <bond id="CPD-7650-bond12" atomRefs="CPD-7650-atom4 CPD-7650-atom1" order="1"/> <formula concise="H 14 N 1 O 2 C 9"/> 168.215 C(CC1(=CC(=C(C=C1)O)OC))[N+]

biopax-level3ChemicalStructure126541
structure data: <atom id="TYR-atom1" elementType="C" x2="10298.0" y2="-1530.0"/> <atom id="TYR-atom2" elementType="C" x2="18086.0" y2="-4318.0"/> <atom id="TYR-atom3" elementType="C" x2="4041.0" y2="-6936.0"/> <atom id="TYR-atom4" elementType="N" x2="10298.0" y2="6597.0" formalCharge="1"/> <atom id="TYR-atom5" elementType="O" x2="24752.0" y2="442.0" formalCharge="-1"/> <atom id="TYR-atom6" elementType="O" x2="18255.0" y2="-11765.0"/> <atom id="TYR-atom7" elementType="C" x2="-3065.0" y2="-2789.0"/> <atom id="TYR-atom8" elementType="C" x2="-3065.0" y2="5440.0"/> <atom id="TYR-atom9" elementType="C" x2="-10206.0" y2="-6936.0"/> <atom id="TYR-atom10" elementType="C" x2="-10206.0" y2="9555.0"/> <atom id="TYR-atom11" elementType="C" x2="-17381.0" y2="-2789.0"/> <atom id="TYR-atom12" elementType="C" x2="-17381.0" y2="5440.0"/> <atom id="TYR-atom13" elementType="O" x2="-24456.0" y2="9521.0"/> <bond id="TYR-bond1" atomRefs="TYR-atom11 TYR-atom12" order="2"/> <bond id="TYR-bond2" atomRefs="TYR-atom12 TYR-atom13" order="1"/> <bond id="TYR-bond3" atomRefs="TYR-atom12 TYR-atom10" order="1"/> <bond id="TYR-bond4" atomRefs="TYR-atom9 TYR-atom11" order="1"/> <bond id="TYR-bond5" atomRefs="TYR-atom10 TYR-atom8" order="2"/> <bond id="TYR-bond6" atomRefs="TYR-atom7 TYR-atom9" order="2"/> <bond id="TYR-bond7" atomRefs="TYR-atom8 TYR-atom7" order="1"/> <bond id="TYR-bond8" atomRefs="TYR-atom3 TYR-atom7" order="1"/> <bond id="TYR-bond9" atomRefs="TYR-atom2 TYR-atom6" order="2"/> <bond id="TYR-bond10" atomRefs="TYR-atom2 TYR-atom5" order="1"/> <bond id="TYR-bond11" atomRefs="TYR-atom1 TYR-atom4" order="1"/> <bond id="TYR-bond12" atomRefs="TYR-atom1 TYR-atom3" order="1"/> <bond id="TYR-bond13" atomRefs="TYR-atom1 TYR-atom2" order="1"/> <formula concise="H 11 O 3 N 1 C 9"/> 181.191 C(C(CC1(C=CC(O)=CC=1))[N+])([O-])=O

CHEBI CHEBI:37100
structure data: InChI%3D1S%2FC8H16O3%2Fc1-2-3-4-5-7%289%296-8%2810%2911%2Fh7%2C9H%2C2-6H2%2C1H3%2C%28H%2C10%2C11%29%2Ft7-%2Fm0%2Fs1

CHEBI CHEBI:60657
structure data: InChI%3D1S%2FC48H80NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47%2850%2954-44-46%2845-56-58%2852%2C53%2955-43-42-49%283%2C4%295%2957-48%2851%2941-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2%2Fh14-17%2C20-23%2C26-29%2C32-35%2C46H%2C6-13%2C18-19%2C24-25%2C30-31%2C36-45H2%2C1-5H3%2Fp%2B1%2Fb16-14-%2C17-15-%2C22-20-%2C23-21-%2C28-26-%2C29-27-%2C34-32-%2C35-33-%2Ft46-%2Fm1%2Fs1

CHEBI CHEBI:47014
structure data: InChI%3D1S%2FC5H10O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh1%2C3-5%2C7-10H%2C2H2%2Ft3-%2C4%2B%2C5-%2Fm0%2Fs1

biopax-level3ChemicalStructure134117
structure data: <atom id="CPD-4542-atom1" elementType="C" x2="581330.0" y2="-411180.0"/> <atom id="CPD-4542-atom2" elementType="C" x2="865600.0" y2="-440560.0"/> <atom id="CPD-4542-atom3" elementType="C" x2="949390.0" y2="-324800.0"/> <atom id="CPD-4542-atom4" elementType="C" x2="199340.0" y2="-209030.0"/> <atom id="CPD-4542-atom5" elementType="C" x2="444920.0" y2="-338100.0"/> <atom id="CPD-4542-atom6" elementType="O" x2="0.0" y2="-3790.0"/> <atom id="CPD-4542-atom7" elementType="C" x2="300720.0" y2="-2390.0"/> <atom id="CPD-4542-atom8" elementType="C" x2="731940.0" y2="-343810.0"/> <atom id="CPD-4542-atom9" elementType="C" x2="374810.0" y2="-45930.0"/> <atom id="CPD-4542-atom10" elementType="C" x2="665120.0" y2="-295430.0"/> <atom id="CPD-4542-atom11" elementType="C" x2="72300.0" y2="-134270.0"/> <atom id="CPD-4542-atom12" elementType="C" x2="807260.0" y2="-310120.0"/> <atom id="CPD-4542-atom13" elementType="C" x2="149130.0" y2="0.0"/> <atom id="CPD-4542-atom14" elementType="C" x2="150490.0" y2="-177820.0"/> <atom id="CPD-4542-atom15" elementType="C" x2="571130.0" y2="-214350.0"/> <atom id="CPD-4542-atom16" elementType="C" x2="522980.0" y2="-147960.0"/> <atom id="CPD-4542-atom17" elementType="C" x2="302030.0" y2="-255600.0"/> <atom id="CPD-4542-atom18" elementType="C" x2="373480.0" y2="-296850.0"/> <atom id="CPD-4542-atom19" elementType="C" x2="226290.0" y2="-45360.0"/> <atom id="CPD-4542-atom20" elementType="C" x2="71610.0" y2="-44760.0"/> <atom id="CPD-4542-atom21" elementType="C" x2="589810.0" y2="-329110.0"/> <atom id="CPD-4542-atom22" elementType="N" x2="874080.0" y2="-358500.0" formalCharge="1"/> <atom id="CPD-4542-atom23" elementType="C" x2="522980.0" y2="-280730.0"/> <atom id="CPD-4542-atom24" elementType="C" x2="226960.0" y2="-131290.0"/> <atom id="CPD-4542-atom25" elementType="C" x2="373480.0" y2="-131850.0"/> <atom id="CPD-4542-atom26" elementType="C" x2="302030.0" y2="-173100.0"/> <atom id="CPD-4542-atom27" elementType="C" x2="444920.0" y2="-173100.0"/> <atom id="CPD-…

CHEBI CHEBI:36208
structure data: InChI%3D1S%2FC7H10O5%2Fc8-4-1-3%287%2811%2912%292-5%289%296%284%2910%2Fh1%2C4-6%2C8-10H%2C2H2%2C%28H%2C11%2C12%29%2Fp-1%2Ft4-%2C5-%2C6-%2Fm1%2Fs1

CHEBI CHEBI:6498
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-8-12-17%2821%2913-9-6-4-5-7-10-14-18%2822%2919%2823%2915-11-16-20%2824%2925%2Fh4-7%2C9-10%2C13-14%2C17-19%2C21-23H%2C2-3%2C8%2C11-12%2C15-16H2%2C1H3%2C%28H%2C24%2C25%29%2Fb6-4-%2C7-5%2B%2C13-9%2B%2C14-10%2B%2Ft17-%2C18%2B%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure144486
structure data: <atom id="CPD-10794-atom1" elementType="O" x2="496330.0" y2="172590.0"/> <atom id="CPD-10794-atom2" elementType="C" x2="447450.0" y2="106250.0"/> <atom id="CPD-10794-atom3" elementType="N" x2="312130.0" y2="-212670.0"/> <atom id="CPD-10794-atom4" elementType="C" x2="312130.0" y2="-130170.0"/> <atom id="CPD-10794-atom5" elementType="N" x2="383580.0" y2="-88910.0"/> <atom id="CPD-10794-atom6" elementType="C" x2="383580.0" y2="-253920.0"/> <atom id="CPD-10794-atom7" elementType="N" x2="533460.0" y2="-237680.0"/> <atom id="CPD-10794-atom8" elementType="C" x2="455020.0" y2="-212670.0"/> <atom id="CPD-10794-atom9" elementType="C" x2="454680.0" y2="-130280.0"/> <atom id="CPD-10794-atom10" elementType="N" x2="533010.0" y2="-104620.0"/> <atom id="CPD-10794-atom11" elementType="C" x2="581490.0" y2="-171260.0"/> <atom id="CPD-10794-atom12" elementType="N" x2="382710.0" y2="-336420.0"/> <atom id="CPD-10794-atom13" elementType="C" x2="-235590.0" y2="101300.0"/> <atom id="CPD-10794-atom14" elementType="C" x2="-210090.0" y2="22840.0"/> <atom id="CPD-10794-atom15" elementType="O" x2="-276840.0" y2="-25660.0"/> <atom id="CPD-10794-atom16" elementType="C" x2="-343580.0" y2="22840.0"/> <atom id="CPD-10794-atom17" elementType="C" x2="-318090.0" y2="101300.0"/> <atom id="CPD-10794-atom18" elementType="C" x2="-131090.0" y2="910.0"/> <atom id="CPD-10794-atom19" elementType="O" x2="-415260.0" y2="-18790.0"/> <atom id="CPD-10794-atom20" elementType="O" x2="-360260.0" y2="172340.0"/> <atom id="CPD-10794-atom21" elementType="O" x2="-214970.0" y2="180590.0"/> <atom id="CPD-10794-atom22" elementType="O" x2="-110000.0" y2="-78840.0"/> <atom id="CPD-10794-atom23" elementType="P" x2="-27500.0" y2="-78840.0"/> <atom id="CPD-10794-atom24" elementType="O" x2="-27960.0" y2="3660.0"/> <atom id="CPD-10794-atom25" elementType="O" x2="-27960.0" y2="-161340.0" formalCharge="-1"/> <atom id="CPD-10794-atom26" elementType="O" x2="55000.0" y2="-78840.0"/> <atom id="CPD-10794-atom27" elementType="P" x2="137500.…

biopax-level3ChemicalStructure148007
structure data: <cml> <molecule id="Orthophosphoric-Monoesters" title="a phosphate monoester" formalCharge="-2" dictRef="dictOrthophosphoric-Monoesters"> <atomArray> <atom id="Orthophosphoric-Monoesters-atom1" elementType="P" x2="-8250.0" y2="-1385.0"/> <atom id="Orthophosphoric-Monoesters-atom2" elementType="O" x2="-8250.0" y2="-560.0" formalCharge="-1"/> <atom id="Orthophosphoric-Monoesters-atom3" elementType="O" x2="-7425.0" y2="-1385.0"/> <atom id="Orthophosphoric-Monoesters-atom4" elementType="O" x2="-9075.0" y2="-1385.0" formalCharge="-1"/> <atom id="Orthophosphoric-Monoesters-atom5" elementType="R" x2="-6842.0" y2="-802.0"/> <atom id="Orthophosphoric-Monoesters-atom6" elementType="O" x2="-8250.0" y2="-2210.0"/> </atomArray> <bondArray> <bond id="Orthophosphoric-Monoesters-bond1" atomRefs="Orthophosphoric-Monoesters-atom1 Orthophosphoric-Monoesters-atom2" order="1"/> <bond id="Orthophosphoric-Monoesters-bond2" atomRefs="Orthophosphoric-Monoesters-atom1 Orthophosphoric-Monoesters-atom3" order="1"/> <bond id="Orthophosphoric-Monoesters-bond3" atomRefs="Orthophosphoric-Monoesters-atom1 Orthophosphoric-Monoesters-atom4" order="1"/> <bond id="Orthophosphoric-Monoesters-bond4" atomRefs="Orthophosphoric-Monoesters-atom3 Orthophosphoric-Monoesters-atom5" order="1"/> <bond id="Orthophosphoric-Monoesters-bond5" atomRefs="Orthophosphoric-Monoesters-atom1 Orthophosphoric-Monoesters-atom6" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">P(=O)([O-])(O[R])[O-]</string> </molecule> </cml>

biopax-level3ChemicalStructure132022
structure data: <atom id="L-CITRULLINE-atom1" elementType="O" x2="-292070.0" y2="-204350.0" formalCharge="-1"/> <atom id="L-CITRULLINE-atom2" elementType="N" x2="-144590.0" y2="-292070.0" formalCharge="1"/> <atom id="L-CITRULLINE-atom3" elementType="C" x2="216880.0" y2="-163870.0"/> <atom id="L-CITRULLINE-atom4" elementType="C" x2="-144590.0" y2="-205320.0"/> <atom id="L-CITRULLINE-atom5" elementType="O" x2="-215920.0" y2="-77120.0"/> <atom id="L-CITRULLINE-atom6" elementType="C" x2="-215920.0" y2="-163870.0"/> <atom id="L-CITRULLINE-atom7" elementType="C" x2="71330.0" y2="-163870.0"/> <atom id="L-CITRULLINE-atom8" elementType="N" x2="291110.0" y2="-207240.0"/> <atom id="L-CITRULLINE-atom9" elementType="O" x2="216880.0" y2="-77120.0"/> <atom id="L-CITRULLINE-atom10" elementType="C" x2="-1930.0" y2="-205320.0"/> <atom id="L-CITRULLINE-atom11" elementType="C" x2="-73260.0" y2="-163870.0"/> <atom id="L-CITRULLINE-atom12" elementType="N" x2="142660.0" y2="-205320.0"/> <bond id="L-CITRULLINE-bond1" atomRefs="L-CITRULLINE-atom12 L-CITRULLINE-atom3" order="1"/> <bond id="L-CITRULLINE-bond2" atomRefs="L-CITRULLINE-atom11 L-CITRULLINE-atom10" order="1"/> <bond id="L-CITRULLINE-bond3" atomRefs="L-CITRULLINE-atom10 L-CITRULLINE-atom7" order="1"/> <bond id="L-CITRULLINE-bond4" atomRefs="L-CITRULLINE-atom9 L-CITRULLINE-atom3" order="2"/> <bond id="L-CITRULLINE-bond5" atomRefs="L-CITRULLINE-atom8 L-CITRULLINE-atom3" order="1"/> <bond id="L-CITRULLINE-bond6" atomRefs="L-CITRULLINE-atom7 L-CITRULLINE-atom12" order="1"/> <bond id="L-CITRULLINE-bond7" atomRefs="L-CITRULLINE-atom6 L-CITRULLINE-atom4" order="1"/> <bond id="L-CITRULLINE-bond8" atomRefs="L-CITRULLINE-atom5 L-CITRULLINE-atom6" order="2"/> <bond id="L-CITRULLINE-bond9" atomRefs="L-CITRULLINE-atom4 L-CITRULLINE-atom11" order="1"/> <bond id="L-CITRULLINE-bond10" atomRefs="L-CITRULLINE-atom2 L-CITRULLINE-atom4" order="1"/> <bond id="L-CITRULLINE-bond11" atomRefs="L-CITRULLINE-atom1 L-CITRULLINE-atom6" order="1"/> <formula concise="H 13 C 6 N…

biopax-level3ChemicalStructure161969
structure data: <atom id="CHOLESTEROL-atom1" elementType="C" x2="7778.0" y2="-1815.0"/> <atom id="CHOLESTEROL-atom2" elementType="C" x2="8851.0" y2="-2759.0"/> <atom id="CHOLESTEROL-atom3" elementType="C" x2="4790.0" y2="-4131.0"/> <atom id="CHOLESTEROL-atom4" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="CHOLESTEROL-atom5" elementType="C" x2="4286.0" y2="-3300.0"/> <atom id="CHOLESTEROL-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CHOLESTEROL-atom7" elementType="C" x2="2858.0" y2="0.0"/> <atom id="CHOLESTEROL-atom8" elementType="C" x2="6688.0" y2="-3054.0"/> <atom id="CHOLESTEROL-atom9" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CHOLESTEROL-atom10" elementType="C" x2="7497.0" y2="-3216.0"/> <atom id="CHOLESTEROL-atom11" elementType="C" x2="6144.0" y2="-3674.0"/> <atom id="CHOLESTEROL-atom12" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CHOLESTEROL-atom13" elementType="C" x2="5556.0" y2="-2062.0"/> <atom id="CHOLESTEROL-atom14" elementType="C" x2="5071.0" y2="-1395.0"/> <atom id="CHOLESTEROL-atom15" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="CHOLESTEROL-atom16" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CHOLESTEROL-atom17" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="CHOLESTEROL-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CHOLESTEROL-atom19" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CHOLESTEROL-atom20" elementType="C" x2="8042.0" y2="-2597.0"/> <atom id="CHOLESTEROL-atom21" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CHOLESTEROL-atom22" elementType="C" x2="5335.0" y2="-3512.0"/> <atom id="CHOLESTEROL-atom23" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CHOLESTEROL-atom24" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CHOLESTEROL-atom25" elementType="C" x2="5071.0" y2="-2730.0"/> <atom id="CHOLESTEROL-atom26" elementType="C" x2="4286.0" y2="-1650.0"/> <atom id="CHOLESTEROL-atom27" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CHOLESTEROL-atom28" elementType="C" x2="4286.0" …

biopax-level3ChemicalStructure134022
structure data: <atom id="CPD66-28-atom1" elementType="C" x2="-14290.0" y2="0.0"/> <atom id="CPD66-28-atom2" elementType="C" x2="-21435.0" y2="4125.0"/> <atom id="CPD66-28-atom3" elementType="C" x2="-21435.0" y2="12375.0"/> <atom id="CPD66-28-atom4" elementType="C" x2="-14290.0" y2="16500.0"/> <atom id="CPD66-28-atom5" elementType="C" x2="-7145.0" y2="12375.0"/> <atom id="CPD66-28-atom6" elementType="C" x2="0.0" y2="16500.0"/> <atom id="CPD66-28-atom7" elementType="C" x2="7144.0" y2="12375.0"/> <atom id="CPD66-28-atom8" elementType="C" x2="0.0" y2="-8250.0"/> <atom id="CPD66-28-atom9" elementType="C" x2="7144.0" y2="-12375.0"/> <atom id="CPD66-28-atom10" elementType="C" x2="0.0" y2="0.0"/> <atom id="CPD66-28-atom11" elementType="C" x2="14289.0" y2="-16500.0"/> <atom id="CPD66-28-atom12" elementType="C" x2="-7145.0" y2="4125.0"/> <atom id="CPD66-28-atom13" elementType="C" x2="-7145.0" y2="-4125.0"/> <atom id="CPD66-28-atom14" elementType="C" x2="7144.0" y2="4125.0"/> <atom id="CPD66-28-atom15" elementType="C" x2="22135.0" y2="-10799.0"/> <atom id="CPD66-28-atom16" elementType="C" x2="14289.0" y2="-8250.0"/> <atom id="CPD66-28-atom17" elementType="C" x2="22135.0" y2="2550.0"/> <atom id="CPD66-28-atom18" elementType="C" x2="26984.0" y2="-4125.0"/> <atom id="CPD66-28-atom19" elementType="C" x2="14289.0" y2="0.0"/> <atom id="CPD66-28-atom20" elementType="C" x2="24685.0" y2="-18645.0"/> <atom id="CPD66-28-atom21" elementType="C" x2="32754.0" y2="-20361.0"/> <atom id="CPD66-28-atom22" elementType="O" x2="19164.0" y2="-24776.0"/> <atom id="CPD66-28-atom23" elementType="O" x2="-28579.0" y2="16500.0"/> <bond id="CPD66-28-bond1" atomRefs="CPD66-28-atom16 CPD66-28-atom9" order="1"/> <bond id="CPD66-28-bond2" atomRefs="CPD66-28-atom14 CPD66-28-atom19" order="1"/> <bond id="CPD66-28-bond3" atomRefs="CPD66-28-atom10 CPD66-28-atom8" order="1"/> <bond id="CPD66-28-bond4" atomRefs="CPD66-28-atom10 CPD66-28-atom12" order="1"/> <bond id="CPD66-28-bond5" atomRefs="CPD66-28-atom10 CPD66-28-atom14" order…

CHEBI CHEBI:59990
structure data: InChI%3D1S%2FC8H10N2O%2Fc1-10%282%298-5-3-7%289-11%294-6-8%2Fh3-6H%2C1-2H3

CHEBI CHEBI:51824
structure data: InChI%3D1S%2FC7H16N2O%2Fc8-4-3-6-9-5-1-2-7-10%2Fh7%2C9H%2C1-6%2C8H2

biopax-level3ChemicalStructure148490
structure data: <atom id="CPD-9965-atom1" elementType="C" x2="180028.0" y2="-124806.0"/> <atom id="CPD-9965-atom2" elementType="O" x2="106974.0" y2="-1004.0"/> <atom id="CPD-9965-atom3" elementType="C" x2="172835.0" y2="-120624.0"/> <atom id="CPD-9965-atom4" elementType="C" x2="172862.0" y2="-112302.0"/> <atom id="CPD-9965-atom5" elementType="C" x2="165707.0" y2="-108142.0"/> <atom id="CPD-9965-atom6" elementType="C" x2="165543.0" y2="-99828.0"/> <atom id="CPD-9965-atom7" elementType="C" x2="158388.0" y2="-95831.0"/> <atom id="CPD-9965-atom8" elementType="C" x2="158215.0" y2="-87517.0"/> <atom id="CPD-9965-atom9" elementType="C" x2="151070.0" y2="-83192.0"/> <atom id="CPD-9965-atom10" elementType="C" x2="150897.0" y2="-74868.0"/> <atom id="CPD-9965-atom11" elementType="C" x2="143578.0" y2="-70879.0"/> <atom id="CPD-9965-atom12" elementType="C" x2="143413.0" y2="-62558.0"/> <atom id="CPD-9965-atom13" elementType="C" x2="136259.0" y2="-58397.0"/> <atom id="CPD-9965-atom14" elementType="C" x2="136095.0" y2="-50082.0"/> <atom id="CPD-9965-atom15" elementType="C" x2="128939.0" y2="-45922.0"/> <atom id="CPD-9965-atom16" elementType="C" x2="128775.0" y2="-37599.0"/> <atom id="CPD-9965-atom17" elementType="C" x2="121619.0" y2="-33610.0"/> <atom id="CPD-9965-atom18" elementType="C" x2="121447.0" y2="-25288.0"/> <atom id="CPD-9965-atom19" elementType="C" x2="114301.0" y2="-21136.0"/> <atom id="CPD-9965-atom20" elementType="C" x2="114128.0" y2="-12977.0"/> <atom id="CPD-9965-atom21" elementType="S" x2="99820.0" y2="-13142.0"/> <atom id="CPD-9965-atom22" elementType="C" x2="106974.0" y2="-9154.0"/> <atom id="CPD-9965-atom23" elementType="C" x2="47274.0" y2="34587.0"/> <atom id="CPD-9965-atom24" elementType="O" x2="15239.0" y2="15629.0" formalCharge="-1"/> <atom id="CPD-9965-atom25" elementType="O" x2="49767.0" y2="49073.0"/> <atom id="CPD-9965-atom26" elementType="O" x2="28840.0" y2="685.0" formalCharge="-1"/> <atom id="CPD-9965-atom27" elementType="N" x2="55085.0" y2="31933.0"/> <atom id="CPD…

CHEBI CHEBI:52623
structure data: InChI%3D1S%2FFe%2Fi1%2B1

CHEBI CHEBI:20415
structure data: InChI%3D1S%2FC8H8O4%2Fc9-4-5-1-2-6%288%2811%2912%297%2810%293-5%2Fh1-3%2C9-10H%2C4H2%2C%28H%2C11%2C12%29

biopax-level3ChemicalStructure150982
structure data: <cml> <molecule id="HEPARIN-GLUCOSAMINE-3-O-SULFATE" title="[heparan sulfate]-alpha-D-glucosamine 3-sulfate" formalCharge="-1" dictRef="dictHEPARIN-GLUCOSAMINE-3-O-SULFATE"> <atomArray> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom1" elementType="O" x2="-25929.0" y2="-10607.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom2" elementType="C" x2="-33073.0" y2="-6482.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom3" elementType="C" x2="-33073.0" y2="1768.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom4" elementType="C" x2="-25929.0" y2="5893.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom5" elementType="C" x2="-18784.0" y2="1768.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom6" elementType="C" x2="-18784.0" y2="-6482.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom7" elementType="O" x2="-11639.0" y2="-10607.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom8" elementType="N" x2="-12950.0" y2="7602.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom9" elementType="O" x2="-25929.0" y2="14143.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom10" elementType="O" x2="-40218.0" y2="5893.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom11" elementType="C" x2="-38907.0" y2="-12316.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom12" elementType="O" x2="-46052.0" y2="-8191.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom13" elementType="R1" x2="-11639.0" y2="-18857.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom14" elementType="R2" x2="-40218.0" y2="14143.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom15" elementType="S" x2="-25929.0" y2="22393.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom16" elementType="O" x2="-25929.0" y2="30643.0" formalCharge="-1"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom17" elementType="O" x2="-17679.0" y2="22393.0"/> <atom id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-atom18" elementType="O" x2="-34179.0" y2="22393.0"/> </atomArray> <bondArray> <bond id="HEPARIN-GLUCOSAMINE-3-O-SULFATE-bond1" atomRefs="HEPARIN-GL…

CHEBI CHEBI:17170
structure data: InChI%3D1S%2FC2H7N%2Fc1-3-2%2Fh3H%2C1-2H3

CHEBI CHEBI:57672
structure data: InChI%3D1S%2FC21H25NO5%2Fc1-12%2823%2927-17-10-14-15-9-13-5-6-16%2825-3%2920%2824%2919%2813%2921%2814%2C7-8-22%2815%292%2911-18%2817%2926-4%2Fh5-6%2C10-11%2C15%2C17%2C24H%2C7-9H2%2C1-4H3%2Fp%2B1%2Ft15-%2C17%2B%2C21%2B%2Fm1%2Fs1

CHEBI CHEBI:17890
structure data: InChI%3D1S%2FC10H11NO%2Fc12-6-5-8-7-11-10-4-2-1-3-9%288%2910%2Fh1-4%2C7%2C11-12H%2C5-6H2

biopax-level3ChemicalStructure163795
structure data: <atom id="CPD-7663-atom1" elementType="C" x2="-143750.0" y2="-191870.0"/> <atom id="CPD-7663-atom2" elementType="C" x2="-215190.0" y2="-150630.0"/> <atom id="CPD-7663-atom3" elementType="C" x2="-215190.0" y2="-68120.0"/> <atom id="CPD-7663-atom4" elementType="C" x2="-143750.0" y2="-26870.0"/> <atom id="CPD-7663-atom5" elementType="C" x2="-72300.0" y2="-68120.0"/> <atom id="CPD-7663-atom6" elementType="C" x2="-72300.0" y2="-150630.0"/> <atom id="CPD-7663-atom7" elementType="O" x2="-286630.0" y2="-191870.0"/> <atom id="CPD-7663-atom8" elementType="O" x2="-143750.0" y2="-274370.0"/> <atom id="CPD-7663-atom9" elementType="N" x2="-860.0" y2="-191870.0" formalCharge="1"/> <atom id="CPD-7663-atom10" elementType="O" x2="-860.0" y2="-274370.0"/> <atom id="CPD-7663-atom11" elementType="O" x2="70590.0" y2="-150630.0" formalCharge="-1"/> <atom id="CPD-7663-atom12" elementType="C" x2="-143750.0" y2="55630.0"/> <atom id="CPD-7663-atom13" elementType="C" x2="-72300.0" y2="96880.0"/> <atom id="CPD-7663-atom14" elementType="C" x2="-860.0" y2="55630.0"/> <atom id="CPD-7663-atom15" elementType="C" x2="-72300.0" y2="179370.0"/> <atom id="CPD-7663-atom16" elementType="C" x2="-860.0" y2="220620.0"/> <atom id="CPD-7663-atom17" elementType="O" x2="-137510.0" y2="229910.0"/> <atom id="CPD-7663-atom18" elementType="O" x2="-860.0" y2="-26870.0"/> <atom id="CPD-7663-atom19" elementType="C" x2="70590.0" y2="96880.0"/> <bond id="CPD-7663-bond1" atomRefs="CPD-7663-atom15 CPD-7663-atom17" order="2"/> <bond id="CPD-7663-bond2" atomRefs="CPD-7663-atom15 CPD-7663-atom16" order="1"/> <bond id="CPD-7663-bond3" atomRefs="CPD-7663-atom13 CPD-7663-atom14" order="1"/> <bond id="CPD-7663-bond4" atomRefs="CPD-7663-atom13 CPD-7663-atom15" order="1"/> <bond id="CPD-7663-bond5" atomRefs="CPD-7663-atom12 CPD-7663-atom13" order="2"/> <bond id="CPD-7663-bond6" atomRefs="CPD-7663-atom9 CPD-7663-atom11" order="1"/> <bond id="CPD-7663-bond7" atomRefs="CPD-7663-atom9 CPD-7663-atom10" order="2"/> <bond id="CPD-7663-bon…

biopax-level3ChemicalStructure136713
structure data: <atom id="CPD-10262-atom1" elementType="C" x2="173240.0" y2="-112549.0"/> <atom id="CPD-10262-atom2" elementType="O" x2="107208.0" y2="-1006.0"/> <atom id="CPD-10262-atom3" elementType="C" x2="166070.0" y2="-108379.0"/> <atom id="CPD-10262-atom4" elementType="C" x2="165905.0" y2="-100046.0"/> <atom id="CPD-10262-atom5" elementType="C" x2="158735.0" y2="-96039.0"/> <atom id="CPD-10262-atom6" elementType="C" x2="158562.0" y2="-87708.0"/> <atom id="CPD-10262-atom7" elementType="C" x2="151399.0" y2="-83372.0"/> <atom id="CPD-10262-atom8" elementType="C" x2="151226.0" y2="-75034.0"/> <atom id="CPD-10262-atom9" elementType="C" x2="143893.0" y2="-71035.0"/> <atom id="CPD-10262-atom10" elementType="C" x2="143728.0" y2="-62694.0"/> <atom id="CPD-10262-atom11" elementType="C" x2="136556.0" y2="-58524.0"/> <atom id="CPD-10262-atom12" elementType="C" x2="136391.0" y2="-50192.0"/> <atom id="CPD-10262-atom13" elementType="C" x2="129223.0" y2="-46022.0"/> <atom id="CPD-10262-atom14" elementType="C" x2="129058.0" y2="-37682.0"/> <atom id="CPD-10262-atom15" elementType="C" x2="121886.0" y2="-33684.0"/> <atom id="CPD-10262-atom16" elementType="C" x2="121712.0" y2="-25344.0"/> <atom id="CPD-10262-atom17" elementType="C" x2="114551.0" y2="-21182.0"/> <atom id="CPD-10262-atom18" elementType="C" x2="114378.0" y2="-13005.0"/> <atom id="CPD-10262-atom19" elementType="S" x2="100037.0" y2="-13170.0"/> <atom id="CPD-10262-atom20" elementType="C" x2="107208.0" y2="-9173.0"/> <atom id="CPD-10262-atom21" elementType="C" x2="47491.0" y2="34561.0"/> <atom id="CPD-10262-atom22" elementType="O" x2="15455.0" y2="15603.0" formalCharge="-1"/> <atom id="CPD-10262-atom23" elementType="O" x2="49983.0" y2="49048.0"/> <atom id="CPD-10262-atom24" elementType="O" x2="29056.0" y2="658.0" formalCharge="-1"/> <atom id="CPD-10262-atom25" elementType="N" x2="55301.0" y2="31907.0"/> <atom id="CPD-10262-atom26" elementType="N" x2="63012.0" y2="44858.0"/> <atom id="CPD-10262-atom27" elementType="O" x2="18610.0" y2="2…

biopax-level3ChemicalStructure158914
structure data: <cml> <molecule id="GLYCANO-13-ETCETERA-GLYCOPROTEIN" title="glycano-1,3-(N-acetyl-alpha-D-galactosaminyl)-glycoprotein" formalCharge="0" dictRef="dictGLYCANO-13-ETCETERA-GLYCOPROTEIN"> <atomArray> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom1" elementType="O" x2="-11786.0" y2="-27402.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom2" elementType="C" x2="-18930.0" y2="-23277.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom3" elementType="C" x2="-18930.0" y2="-15027.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom4" elementType="C" x2="-11786.0" y2="-10902.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom5" elementType="C" x2="-4641.0" y2="-15027.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom6" elementType="C" x2="-4641.0" y2="-23277.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom7" elementType="O" x2="-25634.0" y2="-5893.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom8" elementType="C" x2="-32779.0" y2="-1768.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom9" elementType="C" x2="-32779.0" y2="6482.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom10" elementType="C" x2="-25634.0" y2="10607.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom11" elementType="C" x2="-18489.0" y2="6482.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom12" elementType="C" x2="-18489.0" y2="-1768.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom13" elementType="O" x2="-11345.0" y2="-4420.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom14" elementType="O" x2="2504.0" y2="-27402.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom15" elementType="O" x2="2504.0" y2="-10902.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom16" elementType="R" x2="10754.0" y2="-27402.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom17" elementType="C" x2="-26075.0" y2="-27402.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom18" elementType="O" x2="-33220.0" y2="-23277.0"/> <atom id="GLYCANO-13-ETCETERA-GLYCOPROTEIN-atom19" elementType="O" x2="-26075.0" …

biopax-level3ChemicalStructure173895
structure data: <atom id="CPD-3187-atom1" elementType="C" x2="3069.0" y2="-508.0"/> <atom id="CPD-3187-atom2" elementType="O" x2="1647.0" y2="-2309.0"/> <atom id="CPD-3187-atom3" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3187-atom4" elementType="C" x2="0.0" y2="-413.0"/> <atom id="CPD-3187-atom5" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3187-atom6" elementType="C" x2="1429.0" y2="-413.0"/> <atom id="CPD-3187-atom7" elementType="C" x2="3037.0" y2="-2642.0"/> <atom id="CPD-3187-atom8" elementType="C" x2="3450.0" y2="-1928.0"/> <atom id="CPD-3187-atom9" elementType="C" x2="2230.0" y2="-2471.0"/> <atom id="CPD-3187-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3187-atom11" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3187-atom12" elementType="N" x2="2898.0" y2="-1315.0" formalCharge="1"/> <atom id="CPD-3187-atom13" elementType="C" x2="2144.0" y2="-1650.0"/> <bond id="CPD-3187-bond1" atomRefs="CPD-3187-atom12 CPD-3187-atom13" order="1"/> <bond id="CPD-3187-bond2" atomRefs="CPD-3187-atom13 CPD-3187-atom11" order="1"/> <bond id="CPD-3187-bond3" atomRefs="CPD-3187-atom9 CPD-3187-atom13" order="1"/> <bond id="CPD-3187-bond4" atomRefs="CPD-3187-atom8 CPD-3187-atom12" order="1"/> <bond id="CPD-3187-bond5" atomRefs="CPD-3187-atom7 CPD-3187-atom9" order="1"/> <bond id="CPD-3187-bond6" atomRefs="CPD-3187-atom7 CPD-3187-atom8" order="1"/> <bond id="CPD-3187-bond7" atomRefs="CPD-3187-atom11 CPD-3187-atom6" order="2"/> <bond id="CPD-3187-bond8" atomRefs="CPD-3187-atom6 CPD-3187-atom10" order="1"/> <bond id="CPD-3187-bond9" atomRefs="CPD-3187-atom5 CPD-3187-atom11" order="1"/> <bond id="CPD-3187-bond10" atomRefs="CPD-3187-atom10 CPD-3187-atom4" order="2"/> <bond id="CPD-3187-bond11" atomRefs="CPD-3187-atom3 CPD-3187-atom5" order="2"/> <bond id="CPD-3187-bond12" atomRefs="CPD-3187-atom4 CPD-3187-atom3" order="1"/> <bond id="CPD-3187-bond13" atomRefs="CPD-3187-atom13 CPD-3187-atom2" order="1"/> <bond id="CPD-3187-bond14" atomRefs="CPD-3187-atom1 CPD…

biopax-level3ChemicalStructure134557
structure data: <atom id="CPD-444-atom1" elementType="C" x2="56176.0" y2="6128.0"/> <atom id="CPD-444-atom2" elementType="C" x2="42833.0" y2="6503.0"/> <atom id="CPD-444-atom3" elementType="C" x2="53848.0" y2="14043.0"/> <atom id="CPD-444-atom4" elementType="C" x2="45602.0" y2="14274.0"/> <atom id="CPD-444-atom5" elementType="C" x2="35298.0" y2="2340.0"/> <atom id="CPD-444-atom6" elementType="C" x2="20524.0" y2="2351.0"/> <atom id="CPD-444-atom7" elementType="S" x2="28312.0" y2="6576.0"/> <atom id="CPD-444-atom8" elementType="O" x2="40942.0" y2="21082.0"/> <atom id="CPD-444-atom9" elementType="O" x2="58883.0" y2="20578.0"/> <atom id="CPD-444-atom10" elementType="O" x2="49368.0" y2="1468.0"/> <atom id="CPD-444-atom11" elementType="O" x2="63948.0" y2="3359.0"/> <atom id="CPD-444-atom12" elementType="P" x2="72198.0" y2="3359.0"/> <atom id="CPD-444-atom13" elementType="O" x2="80448.0" y2="3359.0" formalCharge="-1"/> <atom id="CPD-444-atom14" elementType="O" x2="72198.0" y2="11609.0"/> <atom id="CPD-444-atom15" elementType="O" x2="72198.0" y2="-4891.0" formalCharge="-1"/> <bond id="CPD-444-bond1" atomRefs="CPD-444-atom7 CPD-444-atom6" order="1"/> <bond id="CPD-444-bond2" atomRefs="CPD-444-atom5 CPD-444-atom7" order="1"/> <bond id="CPD-444-bond3" atomRefs="CPD-444-atom2 CPD-444-atom5" order="1"/> <bond id="CPD-444-bond4" atomRefs="CPD-444-atom3 CPD-444-atom9" order="1"/> <bond id="CPD-444-bond5" atomRefs="CPD-444-atom4 CPD-444-atom8" order="1"/> <bond id="CPD-444-bond6" atomRefs="CPD-444-atom3 CPD-444-atom4" order="1"/> <bond id="CPD-444-bond7" atomRefs="CPD-444-atom2 CPD-444-atom4" order="1"/> <bond id="CPD-444-bond8" atomRefs="CPD-444-atom2 CPD-444-atom10" order="1"/> <bond id="CPD-444-bond9" atomRefs="CPD-444-atom1 CPD-444-atom3" order="1"/> <bond id="CPD-444-bond10" atomRefs="CPD-444-atom10 CPD-444-atom1" order="1"/> <bond id="CPD-444-bond11" atomRefs="CPD-444-atom11 CPD-444-atom1" order="1"/> <bond id="CPD-444-bond12" atomRefs="CPD-444-atom11 CPD-444-atom12" order="1"/> <bond id="CP…

CHEBI CHEBI:58398
structure data: InChI%3D1S%2FC20H40O3%2Fc1-15%282%299-6-10-16%283%2911-7-12-17%284%2913-8-14-18%285%2919%2821%2920%2822%2923%2Fh15-19%2C21H%2C6-14H2%2C1-5H3%2C%28H%2C22%2C23%29%2Fp-1%2Ft16%3F%2C17%3F%2C18%3F%2C19-%2Fm0%2Fs1

CHEBI CHEBI:64063
structure data: InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2%2Ft25-%2Fm1%2Fs1

CHEBI CHEBI:57761
structure data: InChI%3D1S%2FC8H12N2O2%2Fc1-5-8%2812%297%282-9%296%284-11%293-10-5%2Fh3%2C11-12H%2C2%2C4%2C9H2%2C1H3%2Fp%2B1

biopax-level3ChemicalStructure142404
structure data: <cml> <molecule id="Protein-N-acetyl-D-glucosamin-L-serine" title="[protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine" formalCharge="0"> <atomArray> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom1" elementType="C" x2="-9209.0" y2="-10215.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom2" elementType="C" x2="2061.0" y2="-15322.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom3" elementType="C" x2="9206.0" y2="-11197.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom4" elementType="N" x2="16350.0" y2="-15322.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom5" elementType="Protein" x2="23491.0" y2="-11197.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom6" elementType="N" x2="2061.0" y2="-23568.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom7" elementType="C" x2="9206.0" y2="-27693.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom8" elementType="O" x2="9206.0" y2="-35943.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom9" elementType="Protein" x2="16350.0" y2="-23568.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom10" elementType="O" x2="9206.0" y2="-2947.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom11" elementType="O" x2="-23032.0" y2="-39679.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom12" elementType="C" x2="-15887.0" y2="-35554.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom13" elementType="C" x2="-15887.0" y2="-27304.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom14" elementType="C" x2="-23032.0" y2="-23179.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom15" elementType="C" x2="-30177.0" y2="-27304.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom16" elementType="C" x2="-30177.0" y2="-35554.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom17" elementType="O" x2="-23032.0" y2="-14929.0"/> <atom id="Protein-N-acetyl-D-glucosamin-L-serine-atom18" elementType="C" x2="-8743.0" y2="-39679.0"/> <atom id="Prot…

CHEBI CHEBI:65107
structure data: InChI%3D1S%2FC34H69NO4%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33%2838%2935-31%2830-36%2934%2839%2932%2837%2928-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh31-32%2C34%2C36-37%2C39H%2C3-30H2%2C1-2H3%2C%28H%2C35%2C38%29%2Ft31-%2C32%2B%2C34-%2Fm0%2Fs1

biopax-level3ChemicalStructure167016
structure data: <atom id="ACIFLUORFEN-atom1" elementType="N" x2="28453.0" y2="-10999.0"/> <atom id="ACIFLUORFEN-atom2" elementType="C" x2="-21519.0" y2="-23431.0"/> <atom id="ACIFLUORFEN-atom3" elementType="C" x2="-7174.0" y2="-23431.0"/> <atom id="ACIFLUORFEN-atom4" elementType="CL" x2="-14345.0" y2="-35745.0"/> <atom id="ACIFLUORFEN-atom5" elementType="C" x2="-14345.0" y2="-27495.0"/> <atom id="ACIFLUORFEN-atom6" elementType="C" x2="-7174.0" y2="-15181.0"/> <atom id="ACIFLUORFEN-atom7" elementType="C" x2="-21519.0" y2="-15181.0"/> <atom id="ACIFLUORFEN-atom8" elementType="C" x2="7053.0" y2="-23431.0"/> <atom id="ACIFLUORFEN-atom9" elementType="C" x2="14227.0" y2="-27495.0"/> <atom id="ACIFLUORFEN-atom10" elementType="C" x2="14227.0" y2="-10999.0"/> <atom id="ACIFLUORFEN-atom11" elementType="O" x2="0.0" y2="-27495.0"/> <atom id="ACIFLUORFEN-atom12" elementType="O" x2="28453.0" y2="-2749.0"/> <atom id="ACIFLUORFEN-atom13" elementType="F" x2="-32757.0" y2="-18173.0"/> <atom id="ACIFLUORFEN-atom14" elementType="F" x2="-24389.0" y2="-3825.0"/> <atom id="ACIFLUORFEN-atom15" elementType="O" x2="35627.0" y2="-15181.0"/> <atom id="ACIFLUORFEN-atom16" elementType="F" x2="-35745.0" y2="-6935.0"/> <atom id="ACIFLUORFEN-atom17" elementType="O" x2="21401.0" y2="1315.0"/> <atom id="ACIFLUORFEN-atom18" elementType="C" x2="21401.0" y2="-15181.0"/> <atom id="ACIFLUORFEN-atom19" elementType="O" x2="7053.0" y2="1315.0" formalCharge="-1"/> <atom id="ACIFLUORFEN-atom20" elementType="C" x2="-28571.0" y2="-10999.0"/> <atom id="ACIFLUORFEN-atom21" elementType="C" x2="21401.0" y2="-23431.0"/> <atom id="ACIFLUORFEN-atom22" elementType="C" x2="-14345.0" y2="-10999.0"/> <atom id="ACIFLUORFEN-atom23" elementType="C" x2="14227.0" y2="-2749.0"/> <atom id="ACIFLUORFEN-atom24" elementType="C" x2="7053.0" y2="-15181.0"/> <bond id="ACIFLUORFEN-bond1" atomRefs="ACIFLUORFEN-atom24 ACIFLUORFEN-atom8" order="2"/> <bond id="ACIFLUORFEN-bond2" atomRefs="ACIFLUORFEN-atom23 ACIFLUORFEN-atom19" order="1"/> <bond id="ACIFLUO…

CHEBI CHEBI:17968
structure data: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1

CHEBI CHEBI:28937
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7-%2Ft15-%2Fm0%2Fs1

CHEBI CHEBI:6904
structure data: InChI%3D1S%2FC15H25NO3%2Fc1-12%282%2916-10-14%2817%2911-19-15-6-4-13%285-7-15%298-9-18-3%2Fh4-7%2C12%2C14%2C16-17H%2C8-11H2%2C1-3H3

biopax-level3ChemicalStructure140590
structure data: <atom id="INOSINE-atom1" elementType="O" x2="347680.0" y2="-495190.0"/> <atom id="INOSINE-atom2" elementType="O" x2="281570.0" y2="0.0"/> <atom id="INOSINE-atom3" elementType="O" x2="460410.0" y2="-770.0"/> <atom id="INOSINE-atom4" elementType="C" x2="276910.0" y2="-289330.0"/> <atom id="INOSINE-atom5" elementType="C" x2="546760.0" y2="-330340.0"/> <atom id="INOSINE-atom6" elementType="C" x2="225380.0" y2="-169510.0"/> <atom id="INOSINE-atom7" elementType="N" x2="498710.0" y2="-397710.0"/> <atom id="INOSINE-atom8" elementType="N" x2="347910.0" y2="-247420.0"/> <atom id="INOSINE-atom9" elementType="O" x2="164290.0" y2="-133360.0"/> <atom id="INOSINE-atom10" elementType="O" x2="369330.0" y2="-193200.0"/> <atom id="INOSINE-atom11" elementType="C" x2="347910.0" y2="-413210.0"/> <atom id="INOSINE-atom12" elementType="C" x2="419820.0" y2="-372220.0"/> <atom id="INOSINE-atom13" elementType="C" x2="419820.0" y2="-289330.0"/> <atom id="INOSINE-atom14" elementType="C" x2="328620.0" y2="-67150.0"/> <atom id="INOSINE-atom15" elementType="C" x2="411840.0" y2="-67150.0"/> <atom id="INOSINE-atom16" elementType="C" x2="302600.0" y2="-145380.0"/> <atom id="INOSINE-atom17" elementType="C" x2="436670.0" y2="-143720.0"/> <atom id="INOSINE-atom18" elementType="N" x2="276910.0" y2="-372220.0"/> <atom id="INOSINE-atom19" elementType="N" x2="498480.0" y2="-264300.0"/> <bond id="INOSINE-bond1" atomRefs="INOSINE-atom17 INOSINE-atom19" order="1"/> <bond id="INOSINE-bond2" atomRefs="INOSINE-atom15 INOSINE-atom17" order="1"/> <bond id="INOSINE-bond3" atomRefs="INOSINE-atom14 INOSINE-atom16" order="1"/> <bond id="INOSINE-bond4" atomRefs="INOSINE-atom14 INOSINE-atom15" order="1"/> <bond id="INOSINE-bond5" atomRefs="INOSINE-atom13 INOSINE-atom19" order="1"/> <bond id="INOSINE-bond6" atomRefs="INOSINE-atom12 INOSINE-atom13" order="2"/> <bond id="INOSINE-bond7" atomRefs="INOSINE-atom18 INOSINE-atom11" order="1"/> <bond id="INOSINE-bond8" atomRefs="INOSINE-atom11 INOSINE-atom12" order="1"/> <bond id=…

biopax-level3ChemicalStructure141152
structure data: <atom id="CPD0-1081-atom1" elementType="C" x2="325650.0" y2="1750.0"/> <atom id="CPD0-1081-atom2" elementType="O" x2="214300.0" y2="0.0"/> <atom id="CPD0-1081-atom3" elementType="O" x2="0.0" y2="-371200.0"/> <atom id="CPD0-1081-atom4" elementType="O" x2="285800.0" y2="-288800.0"/> <atom id="CPD0-1081-atom5" elementType="O" x2="0.0" y2="-123800.0"/> <atom id="CPD0-1081-atom6" elementType="O" x2="142900.0" y2="-41200.0"/> <atom id="CPD0-1081-atom7" elementType="C" x2="0.0" y2="-288800.0"/> <atom id="CPD0-1081-atom8" elementType="N" x2="285800.0" y2="-123800.0"/> <atom id="CPD0-1081-atom9" elementType="O" x2="142900.0" y2="-288800.0"/> <atom id="CPD0-1081-atom10" elementType="C" x2="285800.0" y2="-41200.0"/> <atom id="CPD0-1081-atom11" elementType="C" x2="214300.0" y2="-247500.0"/> <atom id="CPD0-1081-atom12" elementType="C" x2="71400.0" y2="-247500.0"/> <atom id="CPD0-1081-atom13" elementType="C" x2="71400.0" y2="-165000.0"/> <atom id="CPD0-1081-atom14" elementType="C" x2="142900.0" y2="-123800.0"/> <atom id="CPD0-1081-atom15" elementType="C" x2="214300.0" y2="-165000.0"/> <atom id="CPD0-1081-atom16" elementType="C" x2="357250.0" y2="-330050.0"/> <atom id="CPD0-1081-atom17" elementType="O" x2="428690.0" y2="-453800.0"/> <atom id="CPD0-1081-atom18" elementType="C" x2="357250.0" y2="-412550.0"/> <atom id="CPD0-1081-atom19" elementType="C" x2="428690.0" y2="-288800.0"/> <atom id="CPD0-1081-atom20" elementType="C" x2="500140.0" y2="-330050.0"/> <atom id="CPD0-1081-atom21" elementType="C" x2="500140.0" y2="-412550.0"/> <atom id="CPD0-1081-atom22" elementType="C" x2="357250.0" y2="-495050.0"/> <atom id="CPD0-1081-atom23" elementType="O" x2="500140.0" y2="-495050.0"/> <atom id="CPD0-1081-atom24" elementType="N" x2="558480.0" y2="-271710.0"/> <atom id="CPD0-1081-atom25" elementType="O" x2="428690.0" y2="-206300.0"/> <atom id="CPD0-1081-atom26" elementType="C" x2="558480.0" y2="-189210.0"/> <atom id="CPD0-1081-atom27" elementType="C" x2="629920.0" y2="-147960.0"/> <atom id="CP…

biopax-level3ChemicalStructure149531
structure data: <atom id="Phosphatase-2A-leucine-methyl-ester-atom1" elementType="O" x2="4175.0" y2="0.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom2" elementType="Phosphatase-2A" x2="5204.0" y2="-1286.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom3" elementType="C" x2="2162.0" y2="-1408.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom4" elementType="C" x2="2877.0" y2="-996.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom5" elementType="C" x2="4175.0" y2="-825.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom6" elementType="C" x2="3591.0" y2="-1408.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom7" elementType="N" x2="3591.0" y2="-2233.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom8" elementType="Phosphatase-2A" x2="4655.0" y2="-2835.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom9" elementType="C" x2="2162.0" y2="-2233.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom10" elementType="C" x2="1448.0" y2="-996.0"/> <atom id="Phosphatase-2A-leucine-methyl-ester-atom11" elementType="C" x2="4175.0" y2="825.0"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond1" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom7 Phosphatase-2A-leucine-methyl-ester-atom8" order="1"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond2" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom6 Phosphatase-2A-leucine-methyl-ester-atom7" order="1"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond3" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom1 Phosphatase-2A-leucine-methyl-ester-atom5" order="1"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond4" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom2 Phosphatase-2A-leucine-methyl-ester-atom5" order="1"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond5" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom3 Phosphatase-2A-leucine-methyl-ester-atom4" order="1"/> <bond id="Phosphatase-2A-leucine-methyl-ester-bond6" atomRefs="Phosphatase-2A-leucine-methyl-ester-atom4 Phosphatase-2A-leuci…

CHEBI CHEBI:37248
structure data: InChI%3D1S%2FC16H32O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15%2817%2914-16%2818%2919%2Fh15%2C17H%2C2-14H2%2C1H3%2C%28H%2C18%2C19%29

biopax-level3ChemicalStructure144359
structure data: <cml> <molecule id="CHONDROITIN-4-SULFATE" title="[chondroitin]-4-O-sulfo-N-acetylgalactosamine" formalCharge="-1" dictRef="dictCHONDROITIN-4-SULFATE"> <atomArray> <atom id="CHONDROITIN-4-SULFATE-atom1" elementType="S" x2="1457.0" y2="1208.0"/> <atom id="CHONDROITIN-4-SULFATE-atom2" elementType="O" x2="1684.0" y2="1315.0"/> <atom id="CHONDROITIN-4-SULFATE-atom3" elementType="O" x2="1683.0" y2="1044.0"/> <atom id="CHONDROITIN-4-SULFATE-atom4" elementType="O" x2="1825.0" y2="1045.0"/> <atom id="CHONDROITIN-4-SULFATE-atom5" elementType="O" x2="1541.0" y2="1208.0"/> <atom id="CHONDROITIN-4-SULFATE-atom6" elementType="O" x2="1752.0" y2="1333.0"/> <atom id="CHONDROITIN-4-SULFATE-atom7" elementType="O" x2="1457.0" y2="1290.0"/> <atom id="CHONDROITIN-4-SULFATE-atom8" elementType="O" x2="1457.0" y2="1125.0"/> <atom id="CHONDROITIN-4-SULFATE-atom9" elementType="O" x2="1376.0" y2="1208.0" formalCharge="-1"/> <atom id="CHONDROITIN-4-SULFATE-atom10" elementType="N" x2="1825.0" y2="1208.0"/> <atom id="CHONDROITIN-4-SULFATE-atom11" elementType="C" x2="1684.0" y2="1209.0"/> <atom id="CHONDROITIN-4-SULFATE-atom12" elementType="C" x2="1755.0" y2="1168.0"/> <atom id="CHONDROITIN-4-SULFATE-atom13" elementType="C" x2="1612.0" y2="1167.0"/> <atom id="CHONDROITIN-4-SULFATE-atom14" elementType="C" x2="1755.0" y2="1085.0"/> <atom id="CHONDROITIN-4-SULFATE-atom15" elementType="C" x2="1612.0" y2="1085.0"/> <atom id="CHONDROITIN-4-SULFATE-atom16" elementType="C" x2="1541.0" y2="1044.0"/> <atom id="CHONDROITIN-4-SULFATE-atom17" elementType="C" x2="1825.0" y2="1291.0"/> <atom id="CHONDROITIN-4-SULFATE-atom18" elementType="C" x2="1896.0" y2="1332.0"/> <atom id="CHONDROITIN-4-SULFATE-atom19" elementType="R2" x2="1613.0" y2="1356.0"/> <atom id="CHONDROITIN-4-SULFATE-atom20" elementType="R1" x2="1825.0" y2="963.0"/> <atom id="CHONDROITIN-4-SULFATE-atom21" elementType="O" x2="1458.0" y2="1044.0"/> </atomArray> <bondArray> <bond id="CHONDROITIN-4-SULFATE-bond1" atomRefs="CHONDROITIN-4-SULFATE-atom1 CH…

CHEBI CHEBI:49786
structure data: InChI%3D1S%2FNi%2Fq%2B2

biopax-level3ChemicalStructure167450
structure data: <atom id="CORTISONE-atom1" elementType="C" x2="7146.0" y2="12375.0"/> <atom id="CORTISONE-atom2" elementType="C" x2="0.0" y2="16499.0"/> <atom id="CORTISONE-atom3" elementType="C" x2="-7144.0" y2="12375.0"/> <atom id="CORTISONE-atom4" elementType="C" x2="-14289.0" y2="16499.0"/> <atom id="CORTISONE-atom5" elementType="C" x2="-21434.0" y2="4125.0"/> <atom id="CORTISONE-atom6" elementType="C" x2="-14289.0" y2="0.0"/> <atom id="CORTISONE-atom7" elementType="C" x2="-7144.0" y2="4125.0"/> <atom id="CORTISONE-atom8" elementType="C" x2="7146.0" y2="-12375.0"/> <atom id="CORTISONE-atom9" elementType="C" x2="26986.0" y2="-4125.0"/> <atom id="CORTISONE-atom10" elementType="C" x2="22137.0" y2="2549.0"/> <atom id="CORTISONE-atom11" elementType="C" x2="0.0" y2="0.0"/> <atom id="CORTISONE-atom12" elementType="H" x2="0.0" y2="8250.0"/> <atom id="CORTISONE-atom13" elementType="C" x2="14290.0" y2="0.0"/> <atom id="CORTISONE-atom14" elementType="H" x2="14290.0" y2="8250.0"/> <atom id="CORTISONE-atom15" elementType="C" x2="7146.0" y2="4125.0"/> <atom id="CORTISONE-atom16" elementType="H" x2="7146.0" y2="-4125.0"/> <atom id="CORTISONE-atom17" elementType="C" x2="14290.0" y2="-8250.0"/> <atom id="CORTISONE-atom18" elementType="C" x2="22137.0" y2="-10800.0"/> <atom id="CORTISONE-atom19" elementType="C" x2="-21434.0" y2="12375.0"/> <atom id="CORTISONE-atom20" elementType="O" x2="-28579.0" y2="16500.0"/> <atom id="CORTISONE-atom21" elementType="C" x2="0.0" y2="-8250.0"/> <atom id="CORTISONE-atom22" elementType="O" x2="-7145.0" y2="-12375.0"/> <atom id="CORTISONE-atom23" elementType="C" x2="22137.0" y2="-19050.0"/> <atom id="CORTISONE-atom24" elementType="O" x2="14992.0" y2="-23175.0"/> <atom id="CORTISONE-atom25" elementType="C" x2="29282.0" y2="-23175.0"/> <atom id="CORTISONE-atom26" elementType="O" x2="36427.0" y2="-19050.0"/> <atom id="CORTISONE-atom27" elementType="O" x2="29282.0" y2="-14925.0"/> <atom id="CORTISONE-atom28" elementType="C" x2="-7144.0" y2="-4125.0"/> <atom id="CORTISON…

biopax-level3ChemicalStructure139442
structure data: <atom id="CPD-12367-atom1" elementType="N" x2="478400.0" y2="-299800.0"/> <atom id="CPD-12367-atom2" elementType="O" x2="620500.0" y2="-546600.0"/> <atom id="CPD-12367-atom3" elementType="O" x2="410900.0" y2="-198000.0"/> <atom id="CPD-12367-atom4" elementType="O" x2="608500.0" y2="0.0"/> <atom id="CPD-12367-atom5" elementType="O" x2="410700.0" y2="-33800.0" formalCharge="-1"/> <atom id="CPD-12367-atom6" elementType="C" x2="819800.0" y2="-381600.0"/> <atom id="CPD-12367-atom7" elementType="C" x2="554200.0" y2="-170400.0"/> <atom id="CPD-12367-atom8" elementType="C" x2="739500.0" y2="-66200.0"/> <atom id="CPD-12367-atom9" elementType="N" x2="771700.0" y2="-449000.0"/> <atom id="CPD-12367-atom10" elementType="N" x2="620800.0" y2="-298600.0"/> <atom id="CPD-12367-atom11" elementType="O" x2="492900.0" y2="-115800.0"/> <atom id="CPD-12367-atom12" elementType="O" x2="698000.0" y2="-192500.0"/> <atom id="CPD-12367-atom13" elementType="O" x2="328800.0" y2="-115900.0" formalCharge="-1"/> <atom id="CPD-12367-atom14" elementType="C" x2="549700.0" y2="-340500.0"/> <atom id="CPD-12367-atom15" elementType="C" x2="620800.0" y2="-464500.0"/> <atom id="CPD-12367-atom16" elementType="C" x2="692800.0" y2="-423500.0"/> <atom id="CPD-12367-atom17" elementType="C" x2="692800.0" y2="-340500.0"/> <atom id="CPD-12367-atom18" elementType="C" x2="657000.0" y2="-66200.0"/> <atom id="CPD-12367-atom19" elementType="C" x2="632100.0" y2="-144800.0"/> <atom id="CPD-12367-atom20" elementType="C" x2="764800.0" y2="-144800.0"/> <atom id="CPD-12367-atom21" elementType="N" x2="549700.0" y2="-423500.0"/> <atom id="CPD-12367-atom22" elementType="N" x2="771500.0" y2="-315700.0"/> <atom id="CPD-12367-atom23" elementType="P" x2="410800.0" y2="-115900.0"/> <atom id="CPD-12367-atom24" elementType="O" x2="902300.0" y2="-381600.0"/> <atom id="CPD-12367-atom25" elementType="O" x2="788080.0" y2="480.0"/> <bond id="CPD-12367-bond1" atomRefs="CPD-12367-atom20 CPD-12367-atom22" order="1"/> <bond id="CPD-12367-bond2" …

CHEBI CHEBI:49187
structure data: InChI%3D1S%2FC15H20O3%2Fc1-11%286-8-16%295-7-15%2818%2912%282%299-13%2817%2910-14%2815%2C3%294%2Fh5-9%2C18H%2C10H2%2C1-4H3%2Fb7-5%2B%2C11-6-%2Ft15-%2Fm0%2Fs1

biopax-level3ChemicalStructure173926
structure data: <atom id="CPD-3193-atom1" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="CPD-3193-atom2" elementType="O" x2="5001.0" y2="-1650.0" formalCharge="-1"/> <atom id="CPD-3193-atom3" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3193-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3193-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3193-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3193-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3193-atom8" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3193-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3193-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3193-atom11" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3193-atom12" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-3193-atom13" elementType="C" x2="2143.0" y2="-1650.0"/> <bond id="CPD-3193-bond1" atomRefs="CPD-3193-atom12 CPD-3193-atom13" order="1"/> <bond id="CPD-3193-bond2" atomRefs="CPD-3193-atom9 CPD-3193-atom13" order="1"/> <bond id="CPD-3193-bond3" atomRefs="CPD-3193-atom8 CPD-3193-atom11" order="1"/> <bond id="CPD-3193-bond4" atomRefs="CPD-3193-atom8 CPD-3193-atom9" order="1"/> <bond id="CPD-3193-bond5" atomRefs="CPD-3193-atom12 CPD-3193-atom7" order="2"/> <bond id="CPD-3193-bond6" atomRefs="CPD-3193-atom7 CPD-3193-atom10" order="1"/> <bond id="CPD-3193-bond7" atomRefs="CPD-3193-atom6 CPD-3193-atom12" order="1"/> <bond id="CPD-3193-bond8" atomRefs="CPD-3193-atom10 CPD-3193-atom5" order="2"/> <bond id="CPD-3193-bond9" atomRefs="CPD-3193-atom4 CPD-3193-atom6" order="2"/> <bond id="CPD-3193-bond10" atomRefs="CPD-3193-atom5 CPD-3193-atom4" order="1"/> <bond id="CPD-3193-bond11" atomRefs="CPD-3193-atom3 CPD-3193-atom13" order="1"/> <bond id="CPD-3193-bond12" atomRefs="CPD-3193-atom2 CPD-3193-atom11" order="1"/> <bond id="CPD-3193-bond13" atomRefs="CPD-3193-atom1 CPD-3193-atom11" order="2"/> <formula concise="H 10 N 1 C 9 O 3"/> 180.183 C1(N=CC=…

CHEBI CHEBI:43722
structure data: InChI%3D1S%2FC14H28O2%2Fc1-13%282%2911-9-7-5-3-4-6-8-10-12-14%2815%2916%2Fh13H%2C3-12H2%2C1-2H3%2C%28H%2C15%2C16%29

biopax-level3ChemicalStructure158057
structure data: <atom id="HEME_O-atom1" elementType="C" x2="96989.0" y2="4599.0"/> <atom id="HEME_O-atom2" elementType="C" x2="40446.0" y2="-25811.0"/> <atom id="HEME_O-atom3" elementType="C" x2="40321.0" y2="5204.0"/> <atom id="HEME_O-atom4" elementType="C" x2="84366.0" y2="-39474.0"/> <atom id="HEME_O-atom5" elementType="C" x2="100404.0" y2="-34384.0"/> <atom id="HEME_O-atom6" elementType="C" x2="89083.0" y2="-11240.0"/> <atom id="HEME_O-atom7" elementType="C" x2="48543.0" y2="-10164.0"/> <atom id="HEME_O-atom8" elementType="C" x2="68581.0" y2="9378.0"/> <atom id="HEME_O-atom9" elementType="C" x2="69047.0" y2="-30783.0"/> <atom id="HEME_O-atom10" elementType="C" x2="84313.0" y2="17381.0"/> <atom id="HEME_O-atom11" elementType="C" x2="53259.0" y2="18070.0"/> <atom id="HEME_O-atom12" elementType="C" x2="92104.0" y2="20357.0"/> <atom id="HEME_O-atom13" elementType="C" x2="45550.0" y2="21252.0"/> <atom id="HEME_O-atom14" elementType="C" x2="52990.0" y2="-38571.0"/> <atom id="HEME_O-atom15" elementType="C" x2="97300.0" y2="-26643.0"/> <atom id="HEME_O-atom16" elementType="C" x2="88739.0" y2="3368.0"/> <atom id="HEME_O-atom17" elementType="C" x2="48694.0" y2="-24580.0"/> <atom id="HEME_O-atom18" elementType="C" x2="84884.0" y2="-3926.0"/> <atom id="HEME_O-atom19" elementType="C" x2="52550.0" y2="-17286.0"/> <atom id="HEME_O-atom20" elementType="C" x2="75873.0" y2="5524.0"/> <atom id="HEME_O-atom21" elementType="C" x2="61755.0" y2="-26928.0"/> <atom id="HEME_O-atom22" elementType="C" x2="52590.0" y2="-3064.0"/> <atom id="HEME_O-atom23" elementType="C" x2="76157.0" y2="-27151.0"/> <atom id="HEME_O-atom24" elementType="C" x2="61460.0" y2="5757.0"/> <atom id="HEME_O-atom25" elementType="C" x2="85219.0" y2="-18524.0"/> <atom id="HEME_O-atom26" elementType="C" x2="82993.0" y2="9146.0"/> <atom id="HEME_O-atom27" elementType="C" x2="54441.0" y2="-30358.0"/> <atom id="HEME_O-atom28" elementType="C" x2="48581.0" y2="4058.0"/> <atom id="HEME_O-atom29" elementType="C" x2="83266.0" y2="-31208.0"/> …

biopax-level3ChemicalStructure141772
structure data: <cml> <molecule id="epoxides" title="an epoxide" formalCharge="0" dictRef="dictepoxides"> <atomArray> <atom id="epoxides-atom1" elementType="O" x2="-59380.0" y2="-98300.0"/> <atom id="epoxides-atom2" elementType="R1" x2="-129240.0" y2="-12310.0"/> <atom id="epoxides-atom3" elementType="R2" x2="-2010.0" y2="-12310.0"/> </atomArray> <bondArray> <bond id="epoxides-bond1" atomRefs="epoxides-atom2 epoxides-atom3" order="1"/> <bond id="epoxides-bond2" atomRefs="epoxides-atom1 epoxides-atom3" order="1"/> <bond id="epoxides-bond3" atomRefs="epoxides-atom1 epoxides-atom2" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">O1([R1][R2]1)</string> </molecule> </cml>

biopax-level3ChemicalStructure174311
structure data: <atom id="CPD-296-atom1" elementType="C" x2="-9900.0" y2="14759.0"/> <atom id="CPD-296-atom2" elementType="C" x2="-2756.0" y2="10634.0"/> <atom id="CPD-296-atom3" elementType="C" x2="4389.0" y2="14759.0"/> <atom id="CPD-296-atom4" elementType="C" x2="11535.0" y2="10634.0"/> <atom id="CPD-296-atom5" elementType="C" x2="18679.0" y2="14759.0"/> <atom id="CPD-296-atom6" elementType="S" x2="-17044.0" y2="10634.0"/> <atom id="CPD-296-atom7" elementType="S" x2="4389.0" y2="23008.0"/> <atom id="CPD-296-atom8" elementType="C" x2="25823.0" y2="10634.0"/> <atom id="CPD-296-atom9" elementType="C" x2="32968.0" y2="14759.0"/> <atom id="CPD-296-atom10" elementType="C" x2="40112.0" y2="10634.0"/> <atom id="CPD-296-atom11" elementType="O" x2="47243.0" y2="14782.0" formalCharge="-1"/> <atom id="CPD-296-atom12" elementType="O" x2="40269.0" y2="2886.0"/> <bond id="CPD-296-bond1" atomRefs="CPD-296-atom1 CPD-296-atom2" order="1"/> <bond id="CPD-296-bond2" atomRefs="CPD-296-atom2 CPD-296-atom3" order="1"/> <bond id="CPD-296-bond3" atomRefs="CPD-296-atom3 CPD-296-atom4" order="1"/> <bond id="CPD-296-bond4" atomRefs="CPD-296-atom4 CPD-296-atom5" order="1"/> <bond id="CPD-296-bond5" atomRefs="CPD-296-atom1 CPD-296-atom6" order="1"/> <bond id="CPD-296-bond6" atomRefs="CPD-296-atom3 CPD-296-atom7" order="1"/> <bond id="CPD-296-bond7" atomRefs="CPD-296-atom5 CPD-296-atom8" order="1"/> <bond id="CPD-296-bond8" atomRefs="CPD-296-atom8 CPD-296-atom9" order="1"/> <bond id="CPD-296-bond9" atomRefs="CPD-296-atom10 CPD-296-atom11" order="1"/> <bond id="CPD-296-bond10" atomRefs="CPD-296-atom10 CPD-296-atom12" order="2"/> <bond id="CPD-296-bond11" atomRefs="CPD-296-atom9 CPD-296-atom10" order="1"/> <formula concise="H 15 O 2 S 2 C 8"/> 207.325 C(S)CC(S)CCCCC(=O)[O-]

CHEBI CHEBI:61049
structure data: InChI%3D1S%2FC44H69NO12%2Fc1-10-13-31-19-25%282%2918-26%283%2920-37%2854-8%2940-38%2855-9%2922-28%285%2944%2852%2C57-40%2941%2849%2942%2850%2945-17-12-11-14-32%2845%2943%2851%2956-39%2829%286%2934%2847%2924-35%2831%2948%2927%284%2921-30-15-16-33%2846%2936%2823-30%2953-7%2Fh10%2C19%2C21%2C26%2C28-34%2C36-40%2C46-47%2C52H%2C1%2C11-18%2C20%2C22-24H2%2C2-9H3%2Fb25-19%2B%2C27-21%2B%2Ft26-%2C28%2B%2C29%2B%2C30-%2C31%2B%2C32-%2C33%2B%2C34-%2C36%2B%2C37-%2C38-%2C39%2B%2C40%2B%2C44%2B%2Fm0%2Fs1

CHEBI CHEBI:3127
structure data: InChI%3D1S%2FC18H31NO4%2Fc1-14%282%2919-11-17%2820%2913-23-18-7-5-16%286-8-18%2912-21-9-10-22-15%283%294%2Fh5-8%2C14-15%2C17%2C19-20H%2C9-13H2%2C1-4H3

CHEBI CHEBI:36021
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29

CHEBI CHEBI:42085
structure data: InChI%3D1S%2FC9H20N2O2%2Fc1-7%2810%298%2811%295-3-2-4-6-9%2812%2913%2Fh7-8H%2C2-6%2C10-11H2%2C1H3%2C%28H%2C12%2C13%29%2Ft7-%2C8%2B%2Fm0%2Fs1

CHEBI CHEBI:6801
structure data: InChI%3D1S%2FC4H11N5%2Fc1-9%282%294%287%298-3%285%296%2Fh1-2H3%2C%28H5%2C5%2C6%2C7%2C8%29

CHEBI CHEBI:52449
structure data: InChI%3D1S%2FC20H30O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19%2821%2917-15-18-20%2822%2923%2Fh6-7%2C9-10%2C12-14%2C16H%2C2-5%2C8%2C11%2C15%2C17-18H2%2C1H3%2C%28H%2C22%2C23%29%2Fb7-6-%2C10-9-%2C13-12-%2C16-14%2B

CHEBI CHEBI:75
structure data: InChI%3D1S%2FC13H24N2O%2Fc16-13%289-11-5-1-3-7-14-11%2910-12-6-2-4-8-15-12%2Fh11-12%2C14-15H%2C1-10H2%2Ft11-%2C12-%2Fm1%2Fs1

CHEBI CHEBI:58548
structure data: InChI%3D1S%2FC6H13O7PS%2Fc1-15-3-5%288%296%289%294%287%292-13-14%2810%2C11%2912%2Fh5-6%2C8-9H%2C2-3H2%2C1H3%2C%28H2%2C10%2C11%2C12%29%2Fp-2%2Ft5-%2C6%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure126301
structure data: <atom id="ILE-atom1" elementType="C" x2="1404.0" y2="939.0"/> <atom id="ILE-atom2" elementType="C" x2="1331.0" y2="897.0"/> <atom id="ILE-atom3" elementType="C" x2="1475.0" y2="897.0"/> <atom id="ILE-atom4" elementType="C" x2="1260.0" y2="939.0"/> <atom id="ILE-atom5" elementType="C" x2="1331.0" y2="815.0"/> <atom id="ILE-atom6" elementType="O" x2="1547.0" y2="939.0" formalCharge="-1"/> <atom id="ILE-atom7" elementType="O" x2="1475.0" y2="815.0"/> <atom id="ILE-atom8" elementType="C" x2="1187.0" y2="897.0"/> <atom id="ILE-atom9" elementType="N" x2="1404.0" y2="1022.0" formalCharge="1"/> <bond id="ILE-bond1" atomRefs="ILE-atom1 ILE-atom2" order="1"/> <bond id="ILE-bond2" atomRefs="ILE-atom1 ILE-atom3" order="1"/> <bond id="ILE-bond3" atomRefs="ILE-atom2 ILE-atom4" order="1"/> <bond id="ILE-bond4" atomRefs="ILE-atom2 ILE-atom5" order="1"/> <bond id="ILE-bond5" atomRefs="ILE-atom3 ILE-atom6" order="1"/> <bond id="ILE-bond6" atomRefs="ILE-atom3 ILE-atom7" order="2"/> <bond id="ILE-bond7" atomRefs="ILE-atom4 ILE-atom8" order="1"/> <bond id="ILE-bond8" atomRefs="ILE-atom1 ILE-atom9" order="1"/> <formula concise="H 13 N 1 O 2 C 6"/> 131.174 C(=O)([O-])C([N+])C(C)CC

biopax-level3ChemicalStructure166089
structure data: <atom id="CPD-7684-atom1" elementType="C" x2="-4062.0" y2="1750.0"/> <atom id="CPD-7684-atom2" elementType="C" x2="-11207.0" y2="5875.0"/> <atom id="CPD-7684-atom3" elementType="C" x2="-11207.0" y2="14125.0"/> <atom id="CPD-7684-atom4" elementType="C" x2="-4062.0" y2="18250.0"/> <atom id="CPD-7684-atom5" elementType="C" x2="3082.0" y2="14125.0"/> <atom id="CPD-7684-atom6" elementType="C" x2="3082.0" y2="5875.0"/> <atom id="CPD-7684-atom7" elementType="N" x2="-4062.0" y2="26500.0" formalCharge="1"/> <atom id="CPD-7684-atom8" elementType="O" x2="3082.0" y2="30625.0"/> <atom id="CPD-7684-atom9" elementType="O" x2="-11207.0" y2="30625.0" formalCharge="-1"/> <atom id="CPD-7684-atom10" elementType="N" x2="-4062.0" y2="-6500.0"/> <atom id="CPD-7684-atom11" elementType="C" x2="3082.0" y2="-10625.0"/> <atom id="CPD-7684-atom12" elementType="O" x2="10511.0" y2="-7038.0"/> <atom id="CPD-7684-atom13" elementType="C" x2="2778.0" y2="-18870.0"/> <atom id="CPD-7684-atom14" elementType="C" x2="-4514.0" y2="-22728.0"/> <atom id="CPD-7684-atom15" elementType="C" x2="-4818.0" y2="-30973.0"/> <atom id="CPD-7684-atom16" elementType="C" x2="-12110.0" y2="-34832.0"/> <atom id="CPD-7684-atom17" elementType="C" x2="-12414.0" y2="-43076.0"/> <atom id="CPD-7684-atom18" elementType="N" x2="-19706.0" y2="-46935.0"/> <atom id="CPD-7684-atom19" elementType="N" x2="9766.0" y2="-23255.0"/> <bond id="CPD-7684-bond1" atomRefs="CPD-7684-atom19 CPD-7684-atom13" order="1"/> <bond id="CPD-7684-bond2" atomRefs="CPD-7684-atom17 CPD-7684-atom18" order="1"/> <bond id="CPD-7684-bond3" atomRefs="CPD-7684-atom16 CPD-7684-atom17" order="1"/> <bond id="CPD-7684-bond4" atomRefs="CPD-7684-atom15 CPD-7684-atom16" order="1"/> <bond id="CPD-7684-bond5" atomRefs="CPD-7684-atom14 CPD-7684-atom15" order="1"/> <bond id="CPD-7684-bond6" atomRefs="CPD-7684-atom13 CPD-7684-atom14" order="1"/> <bond id="CPD-7684-bond7" atomRefs="CPD-7684-atom11 CPD-7684-atom13" order="1"/> <bond id="CPD-7684-bond8" atomRefs="CPD-7684-atom11 C…

CHEBI CHEBI:58429
structure data: InChI%3D1S%2FC12H23O14P%2Fc13-1-3-5%2814%297%2816%299%2818%2911%2824-3%2926-12-10%2819%298%2817%296%2815%294%2825-12%292-23-27%2820%2C21%2922%2Fh3-19H%2C1-2H2%2C%28H2%2C20%2C21%2C22%29%2Fp-2%2Ft3-%2C4-%2C5-%2C6-%2C7%2B%2C8%2B%2C9-%2C10-%2C11-%2C12-%2Fm1%2Fs1

biopax-level3ChemicalStructure150298
structure data: <cml> <molecule id="Protein-tyrosine-O-sulfates" title="a protein L-tyrosine-O-sulfate" formalCharge="0" dictRef="dictProtein-tyrosine-O-sulfates"> <atomArray> <atom id="Protein-tyrosine-O-sulfates-atom1" elementType="C" x2="-3047.0" y2="-20433.0"/> <atom id="Protein-tyrosine-O-sulfates-atom2" elementType="O" x2="19164.0" y2="-2538.0"/> <atom id="Protein-tyrosine-O-sulfates-atom3" elementType="C" x2="-17261.0" y2="-12311.0"/> <atom id="Protein-tyrosine-O-sulfates-atom4" elementType="C" x2="11169.0" y2="-12183.0"/> <atom id="Protein-tyrosine-O-sulfates-atom5" elementType="C" x2="4061.0" y2="-7995.0"/> <atom id="Protein-tyrosine-O-sulfates-atom6" elementType="C" x2="-3047.0" y2="-12183.0"/> <atom id="Protein-tyrosine-O-sulfates-atom7" elementType="C" x2="-17261.0" y2="-20306.0"/> <atom id="Protein-tyrosine-O-sulfates-atom8" elementType="C" x2="-10153.0" y2="-8122.0"/> <atom id="Protein-tyrosine-O-sulfates-atom9" elementType="C" x2="-10153.0" y2="-24494.0"/> <atom id="Protein-tyrosine-O-sulfates-atom10" elementType="C" x2="19164.0" y2="-7360.0"/> <atom id="Protein-tyrosine-O-sulfates-atom11" elementType="N" x2="11169.0" y2="-17641.0"/> <atom id="Protein-tyrosine-O-sulfates-atom12" elementType="Protein" x2="12878.0" y2="-30619.0"/> <atom id="Protein-tyrosine-O-sulfates-atom13" elementType="C" x2="17003.0" y2="-23475.0"/> <atom id="Protein-tyrosine-O-sulfates-atom14" elementType="O" x2="25253.0" y2="-23475.0"/> <atom id="Protein-tyrosine-O-sulfates-atom15" elementType="N" x2="25214.0" y2="-12969.0"/> <atom id="Protein-tyrosine-O-sulfates-atom16" elementType="Protein" x2="32359.0" y2="-8844.0"/> <atom id="Protein-tyrosine-O-sulfates-atom17" elementType="O" x2="-24561.0" y2="-24149.0"/> <atom id="Protein-tyrosine-O-sulfates-atom18" elementType="S" x2="-32530.0" y2="-26284.0"/> <atom id="Protein-tyrosine-O-sulfates-atom19" elementType="O" x2="-32530.0" y2="-34534.0"/> <atom id="Protein-tyrosine-O-sulfates-atom20" elementType="O" x2="-40780.0" y2="-26284.0"/> <atom id="Prote…

CHEBI CHEBI:15978
structure data: InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29%2Ft3-%2Fm1%2Fs1

CHEBI CHEBI:48723
structure data: InChI%3D1S%2FC22H27NO2%2Fc1-23-19%2815-21%2824%2917-9-4-2-5-10-17%2913-8-14-20%2823%2916-22%2825%2918-11-6-3-7-12-18%2Fh2-7%2C9-12%2C19-21%2C24H%2C8%2C13-16H2%2C1H3%2Ft19-%2C20%2B%2C21-%2Fm0%2Fs1

CHEBI CHEBI:37154
structure data: InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fp-1%2Fb2-1%2B

biopax-level3ChemicalStructure134029
structure data: <atom id="PROGESTERONE-atom1" elementType="C" x2="-13061.0" y2="-1637.0"/> <atom id="PROGESTERONE-atom2" elementType="C" x2="-20205.0" y2="-5762.0"/> <atom id="PROGESTERONE-atom3" elementType="C" x2="-27351.0" y2="-1637.0"/> <atom id="PROGESTERONE-atom4" elementType="C" x2="-27351.0" y2="6613.0"/> <atom id="PROGESTERONE-atom5" elementType="C" x2="-20205.0" y2="10738.0"/> <atom id="PROGESTERONE-atom6" elementType="C" x2="-13061.0" y2="6613.0"/> <atom id="PROGESTERONE-atom7" elementType="C" x2="-5916.0" y2="10738.0"/> <atom id="PROGESTERONE-atom8" elementType="C" x2="1229.0" y2="6613.0"/> <atom id="PROGESTERONE-atom9" elementType="C" x2="1229.0" y2="-1637.0"/> <atom id="PROGESTERONE-atom10" elementType="C" x2="-5916.0" y2="-5762.0"/> <atom id="PROGESTERONE-atom11" elementType="C" x2="1228.0" y2="-18138.0"/> <atom id="PROGESTERONE-atom12" elementType="C" x2="-5917.0" y2="-14012.0"/> <atom id="PROGESTERONE-atom13" elementType="C" x2="8373.0" y2="-5763.0"/> <atom id="PROGESTERONE-atom14" elementType="C" x2="8373.0" y2="-14013.0"/> <atom id="PROGESTERONE-atom15" elementType="C" x2="15517.0" y2="-18138.0"/> <atom id="PROGESTERONE-atom16" elementType="C" x2="22662.0" y2="-14014.0"/> <atom id="PROGESTERONE-atom17" elementType="C" x2="22662.0" y2="-5764.0"/> <atom id="PROGESTERONE-atom18" elementType="O" x2="-34496.0" y2="10738.0"/> <atom id="PROGESTERONE-atom19" elementType="C" x2="-13061.0" y2="-9887.0"/> <atom id="PROGESTERONE-atom20" elementType="C" x2="8373.0" y2="-22263.0"/> <atom id="PROGESTERONE-atom21" elementType="C" x2="15517.0" y2="-26388.0"/> <atom id="PROGESTERONE-atom22" elementType="C" x2="21350.0" y2="-32222.0"/> <atom id="PROGESTERONE-atom23" elementType="O" x2="9683.0" y2="-32222.0"/> <atom id="PROGESTERONE-atom24" elementType="H" x2="1229.0" y2="-9887.0"/> <atom id="PROGESTERONE-atom25" elementType="H" x2="8373.0" y2="2487.0"/> <atom id="PROGESTERONE-atom26" elementType="H" x2="-5916.0" y2="2488.0"/> <bond id="PROGESTERONE-bond1" atomRefs="PROGESTERONE-ato…

biopax-level3ChemicalStructure133899
structure data: <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom1" elementType="C" x2="0.0" y2="-1623.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom2" elementType="O" x2="7246.0" y2="-6887.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom3" elementType="O" x2="4919.0" y2="0.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom4" elementType="O" x2="8675.0" y2="-6887.0" formalCharge="-1"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom5" elementType="O" x2="3237.0" y2="-3576.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom6" elementType="O" x2="7269.0" y2="-1707.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom7" elementType="C" x2="6531.0" y2="-4000.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom8" elementType="C" x2="6531.0" y2="-3174.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom9" elementType="C" x2="4193.0" y2="-2514.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom10" elementType="C" x2="4365.0" y2="-1707.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom11" elementType="C" x2="613.0" y2="-2174.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom12" elementType="C" x2="7246.0" y2="-4412.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom13" elementType="C" x2="5817.0" y2="-2762.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom14" elementType="C" x2="1398.0" y2="-1920.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom15" elementType="C" x2="7246.0" y2="-5237.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom16" elementType="C" x2="2011.0" y2="-2472.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom17" elementType="C" x2="7960.0" y2="-5650.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom18" elementType="C" x2="2796.0" y2="-2217.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom19" elementType="C" x2="6229.0" y2="-668.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom20" elementType="C" x2="7960.0" y2="-6474.0"/> <atom id="5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O-atom21" elementType="C" x2="5404.0"…

biopax-level3ChemicalStructure161791
structure data: <cml> <molecule id="5-L-GLUTAMYL-L-AMINO-ACID" title="a 5-L-glutamyl-L-amino acid" formalCharge="-1" dictRef="dict5-L-GLUTAMYL-L-AMINO-ACID"> <atomArray> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom1" elementType="N" x2="5.0013e+7" y2="0.0" formalCharge="1"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom2" elementType="O" x2="5.7158e+7" y2="-2.0625e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom3" elementType="O" x2="7145000.0" y2="-1000.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom4" elementType="O" x2="2.8579e+7" y2="-2.0625998e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom5" elementType="O" x2="6.4302e+7" y2="-8250000.0" formalCharge="-1"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom6" elementType="O" x2="0.0" y2="-1.2376e+7" formalCharge="-1"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom7" elementType="R" x2="1.429e+7" y2="-2.0625998e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom8" elementType="C" x2="3.5724e+7" y2="-8251000.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom9" elementType="C" x2="4.2868e+7" y2="-1.2375e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom10" elementType="N" x2="2.1434e+7" y2="-8251000.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom11" elementType="C" x2="5.7158e+7" y2="-1.2375e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom12" elementType="C" x2="7145000.0" y2="-8251000.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom13" elementType="C" x2="2.8579e+7" y2="-1.2376e+7"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom14" elementType="C" x2="5.0013e+7" y2="-8250000.0"/> <atom id="5-L-GLUTAMYL-L-AMINO-ACID-atom15" elementType="C" x2="1.429e+7" y2="-1.2376e+7"/> </atomArray> <bondArray> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond1" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom12 5-L-GLUTAMYL-L-AMINO-ACID-atom15" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond2" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom11 5-L-GLUTAMYL-L-AMINO-ACID-atom14" order="1"/> <bond id="5-L-GLUTAMYL-L-AMINO-ACID-bond3" atomRefs="5-L-GLUTAMYL-L-AMINO-ACID-atom15 5-L-GLUTAMYL-L-AMINO-ACID-atom10" order="1"/…

biopax-level3ChemicalStructure140975
structure data: <atom id="3-UREIDO-ISOBUTYRATE-atom1" elementType="C" x2="4711.0" y2="5983.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom2" elementType="C" x2="5422.0" y2="6384.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom3" elementType="C" x2="6144.0" y2="5983.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom4" elementType="O" x2="6855.0" y2="6384.0" formalCharge="-1"/> <atom id="3-UREIDO-ISOBUTYRATE-atom5" elementType="O" x2="6134.0" y2="5151.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom6" elementType="N" x2="3988.0" y2="6384.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom7" elementType="C" x2="5422.0" y2="7216.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom8" elementType="C" x2="3274.0" y2="5971.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom9" elementType="O" x2="3274.0" y2="5146.0"/> <atom id="3-UREIDO-ISOBUTYRATE-atom10" elementType="N" x2="2560.0" y2="6384.0"/> <bond id="3-UREIDO-ISOBUTYRATE-bond1" atomRefs="3-UREIDO-ISOBUTYRATE-atom2 3-UREIDO-ISOBUTYRATE-atom7" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond2" atomRefs="3-UREIDO-ISOBUTYRATE-atom1 3-UREIDO-ISOBUTYRATE-atom6" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond3" atomRefs="3-UREIDO-ISOBUTYRATE-atom2 3-UREIDO-ISOBUTYRATE-atom3" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond4" atomRefs="3-UREIDO-ISOBUTYRATE-atom3 3-UREIDO-ISOBUTYRATE-atom5" order="2"/> <bond id="3-UREIDO-ISOBUTYRATE-bond5" atomRefs="3-UREIDO-ISOBUTYRATE-atom3 3-UREIDO-ISOBUTYRATE-atom4" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond6" atomRefs="3-UREIDO-ISOBUTYRATE-atom1 3-UREIDO-ISOBUTYRATE-atom2" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond7" atomRefs="3-UREIDO-ISOBUTYRATE-atom6 3-UREIDO-ISOBUTYRATE-atom8" order="1"/> <bond id="3-UREIDO-ISOBUTYRATE-bond8" atomRefs="3-UREIDO-ISOBUTYRATE-atom8 3-UREIDO-ISOBUTYRATE-atom9" order="2"/> <bond id="3-UREIDO-ISOBUTYRATE-bond9" atomRefs="3-UREIDO-ISOBUTYRATE-atom8 3-UREIDO-ISOBUTYRATE-atom10" order="1"/> <formula concise="H 9 N 2 O 3 C 5"/> 145.138 C(C(C([O-])=O)C)NC(N)=O

CHEBI CHEBI:16169
structure data: InChI%3D1S%2FC8H8O4%2Fc9-6-1-2-7%2810%295%283-6%294-8%2811%2912%2Fh1-3%2C9-10H%2C4H2%2C%28H%2C11%2C12%29%2Fp-1

CHEBI CHEBI:28997
structure data: InChI%3D1S%2FC10H12N4O4%2Fc15-2-6-5%2816%291-7%2818-6%2914-4-13-8-9%2814%2911-3-12-10%288%2917%2Fh3-7%2C15-16H%2C1-2H2%2C%28H%2C11%2C12%2C17%29%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1

CHEBI CHEBI:295975
structure data: InChI%3D1S%2FC5H14NO4P%2Fc1-6%282%2C3%294-5-10-11%287%2C8%299%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C8%2C9%29%2Fp-1

biopax-level3ChemicalStructure158981
structure data: <cml> <molecule id="Lactotetraosylceramides" title="lactotetraosylceramide" formalCharge="0" dictRef="dictLactotetraosylceramides"> <atomArray> <atom id="Lactotetraosylceramides-atom1" elementType="C" x2="373652.0" y2="-148283.0"/> <atom id="Lactotetraosylceramides-atom2" elementType="C" x2="110722.0" y2="-28026.0"/> <atom id="Lactotetraosylceramides-atom3" elementType="O" x2="86902.0" y2="-20735.0"/> <atom id="Lactotetraosylceramides-atom4" elementType="O" x2="203233.0" y2="-179955.0"/> <atom id="Lactotetraosylceramides-atom5" elementType="O" x2="841.0" y2="-56894.0"/> <atom id="Lactotetraosylceramides-atom6" elementType="O" x2="71758.0" y2="-128091.0"/> <atom id="Lactotetraosylceramides-atom7" elementType="O" x2="116891.0" y2="-155855.0"/> <atom id="Lactotetraosylceramides-atom8" elementType="O" x2="47658.0" y2="-83256.0"/> <atom id="Lactotetraosylceramides-atom9" elementType="O" x2="201830.0" y2="-123622.0"/> <atom id="Lactotetraosylceramides-atom10" elementType="O" x2="25222.0" y2="0.0"/> <atom id="Lactotetraosylceramides-atom11" elementType="O" x2="0.0" y2="-14845.0"/> <atom id="Lactotetraosylceramides-atom12" elementType="O" x2="48499.0" y2="-13162.0"/> <atom id="Lactotetraosylceramides-atom13" elementType="O" x2="168737.0" y2="-118013.0"/> <atom id="Lactotetraosylceramides-atom14" elementType="O" x2="144357.0" y2="-102308.0"/> <atom id="Lactotetraosylceramides-atom15" elementType="O" x2="71477.0" y2="-86341.0"/> <atom id="Lactotetraosylceramides-atom16" elementType="O" x2="120257.0" y2="-86341.0"/> <atom id="Lactotetraosylceramides-atom17" elementType="O" x2="73440.0" y2="-28868.0"/> <atom id="Lactotetraosylceramides-atom18" elementType="R" x2="216395.0" y2="-163409.0"/> <atom id="Lactotetraosylceramides-atom19" elementType="C" x2="227052.0" y2="-137626.0"/> <atom id="Lactotetraosylceramides-atom20" elementType="C" x2="214432.0" y2="-143796.0"/> <atom id="Lactotetraosylceramides-atom21" elementType="C" x2="362995.0" y2="-139028.0"/> <atom id="Lactotetraosylce…

CHEBI CHEBI:39246
structure data: InChI%3D1S%2FC19H38O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19%2820%2921%2Fh2-18H2%2C1H3%2C%28H%2C20%2C21%29

CHEBI CHEBI:2490
structure data: InChI%3D1S%2FC6H10O3%2Fc7-5-3-1-2-4-6%288%299%2Fh5H%2C1-4H2%2C%28H%2C8%2C9%29

biopax-level3ChemicalStructure163955
structure data: <atom id="CPD-9958-atom1" elementType="C" x2="2845410.0" y2="90640.0"/> <atom id="CPD-9958-atom2" elementType="C" x2="2847350.0" y2="-167900.0"/> <atom id="CPD-9958-atom3" elementType="C" x2="-216990.0" y2="-239600.0"/> <atom id="CPD-9958-atom4" elementType="C" x2="-289860.0" y2="-116690.0"/> <atom id="CPD-9958-atom5" elementType="C" x2="68780.0" y2="-236300.0"/> <atom id="CPD-9958-atom6" elementType="C" x2="354570.0" y2="-233000.0"/> <atom id="CPD-9958-atom7" elementType="C" x2="640340.0" y2="-229700.0"/> <atom id="CPD-9958-atom8" elementType="C" x2="926100.0" y2="-226410.0"/> <atom id="CPD-9958-atom9" elementType="C" x2="1211870.0" y2="-223100.0"/> <atom id="CPD-9958-atom10" elementType="C" x2="1497630.0" y2="-219810.0"/> <atom id="CPD-9958-atom11" elementType="C" x2="1783390.0" y2="-216520.0"/> <atom id="CPD-9958-atom12" elementType="C" x2="2069170.0" y2="-213210.0"/> <atom id="CPD-9958-atom13" elementType="C" x2="2354930.0" y2="-209920.0"/> <atom id="CPD-9958-atom14" elementType="C" x2="2494960.0" y2="39220.0"/> <atom id="CPD-9958-atom15" elementType="O" x2="2636910.0" y2="123360.0"/> <atom id="CPD-9958-atom16" elementType="O" x2="2640710.0" y2="-206610.0"/> <atom id="CPD-9958-atom17" elementType="C" x2="-146970.0" y2="-115030.0"/> <atom id="CPD-9958-atom18" elementType="C" x2="138800.0" y2="-111730.0"/> <atom id="CPD-9958-atom19" elementType="C" x2="424570.0" y2="-108430.0"/> <atom id="CPD-9958-atom20" elementType="C" x2="710350.0" y2="-105140.0"/> <atom id="CPD-9958-atom21" elementType="C" x2="996120.0" y2="-101830.0"/> <atom id="CPD-9958-atom22" elementType="C" x2="1281880.0" y2="-98540.0"/> <atom id="CPD-9958-atom23" elementType="C" x2="1567650.0" y2="-95240.0"/> <atom id="CPD-9958-atom24" elementType="C" x2="1853410.0" y2="-91940.0"/> <atom id="CPD-9958-atom25" elementType="C" x2="2139180.0" y2="-88640.0"/> <atom id="CPD-9958-atom26" elementType="C" x2="2424960.0" y2="-85340.0"/> <atom id="CPD-9958-atom27" elementType="C" x2="-75040.0" y2="-155450.0"/> <ato…

CHEBI CHEBI:64312
structure data: InChI%3D1S%2FC12H21N%2Fc1-10-3-9-4-11%282%2C6-10%298-12%2813%2C5-9%297-10%2Fh9H%2C3-8%2C13H2%2C1-2H3

CHEBI CHEBI:65222
structure data: InChI%3D1S%2FC32H61NO8%2Fc1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-26%2835%2925%2833-28%2836%2922-20-17-8-6-4-2%2924-40-32-31%2839%2930%2838%2929%2837%2927%2823-34%2941-32%2Fh19%2C21%2C25-27%2C29-32%2C34-35%2C37-39H%2C3-18%2C20%2C22-24H2%2C1-2H3%2C%28H%2C33%2C36%29%2Fb21-19%2B%2Ft25-%2C26%2B%2C27%2B%2C29%2B%2C30-%2C31%2B%2C32%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure174567
structure data: <atom id="CPD-11406-atom1" elementType="C" x2="-31525.0" y2="-14438.0"/> <atom id="CPD-11406-atom2" elementType="C" x2="-38669.0" y2="-10313.0"/> <atom id="CPD-11406-atom3" elementType="C" x2="-38669.0" y2="-2062.0"/> <atom id="CPD-11406-atom4" elementType="C" x2="-31525.0" y2="2063.0"/> <atom id="CPD-11406-atom5" elementType="C" x2="-24380.0" y2="-2062.0"/> <atom id="CPD-11406-atom6" elementType="C" x2="-24380.0" y2="-10313.0"/> <atom id="CPD-11406-atom7" elementType="O" x2="-45814.0" y2="2063.0"/> <atom id="CPD-11406-atom8" elementType="O" x2="-17235.0" y2="-14438.0"/> <atom id="CPD-11406-atom9" elementType="C" x2="-9742.0" y2="-10991.0"/> <atom id="CPD-11406-atom10" elementType="C" x2="-2597.0" y2="-15116.0"/> <atom id="CPD-11406-atom11" elementType="C" x2="-9742.0" y2="-2741.0"/> <atom id="CPD-11406-atom12" elementType="C" x2="-2597.0" y2="1384.0"/> <atom id="CPD-11406-atom13" elementType="C" x2="4548.0" y2="-2741.0"/> <atom id="CPD-11406-atom14" elementType="C" x2="4548.0" y2="-10991.0"/> <atom id="CPD-11406-atom15" elementType="C" x2="11692.0" y2="1384.0"/> <atom id="CPD-11406-atom16" elementType="C" x2="18835.0" y2="-2741.0"/> <atom id="CPD-11406-atom17" elementType="N" x2="25980.0" y2="1384.0" formalCharge="1"/> <bond id="CPD-11406-bond1" atomRefs="CPD-11406-atom1 CPD-11406-atom2" order="2"/> <bond id="CPD-11406-bond2" atomRefs="CPD-11406-atom2 CPD-11406-atom3" order="1"/> <bond id="CPD-11406-bond3" atomRefs="CPD-11406-atom3 CPD-11406-atom4" order="2"/> <bond id="CPD-11406-bond4" atomRefs="CPD-11406-atom4 CPD-11406-atom5" order="1"/> <bond id="CPD-11406-bond5" atomRefs="CPD-11406-atom5 CPD-11406-atom6" order="2"/> <bond id="CPD-11406-bond6" atomRefs="CPD-11406-atom1 CPD-11406-atom6" order="1"/> <bond id="CPD-11406-bond7" atomRefs="CPD-11406-atom3 CPD-11406-atom7" order="1"/> <bond id="CPD-11406-bond8" atomRefs="CPD-11406-atom6 CPD-11406-atom8" order="1"/> <bond id="CPD-11406-bond9" atomRefs="CPD-11406-atom8 CPD-11406-atom9" order="1"/> <bond id="CPD-11406-bo…

CHEBI CHEBI:52389
structure data: InChI%3D1S%2FC29H46O2%2Fc1-18%282%298-7-9-19%283%2922-12-13-23-21-10-11-25-27%2820%284%2930%2926%2831%2915-17-29%2825%2C6%2924%2821%2914-16-28%2822%2C23%295%2Fh8%2C19%2C22-23%2C25-27%2C31H%2C7%2C9-17H2%2C1-6H3%2Ft19-%2C22-%2C23%2B%2C25%2B%2C26%2B%2C27%3F%2C28-%2C29-%2Fm1%2Fs1

CHEBI CHEBI:11060
structure data: InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3%2Ft6-%2Fm0%2Fs1

biopax-level3ChemicalStructure142759
structure data: <cml> <molecule id="A-GALACTOSYLCERAMIDE" title="a cerebroside" formalCharge="0" dictRef="dictA-GALACTOSYLCERAMIDE"> <atomArray> <atom id="A-GALACTOSYLCERAMIDE-atom1" elementType="C" x2="27877.0" y2="-5926.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom2" elementType="O" x2="9709.0" y2="-7739.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom3" elementType="O" x2="0.0" y2="-3615.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom4" elementType="O" x2="9914.0" y2="-2394.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom5" elementType="O" x2="3697.0" y2="0.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom6" elementType="O" x2="1272.0" y2="-1400.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom7" elementType="O" x2="6122.0" y2="-1400.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom8" elementType="R" x2="11006.0" y2="-5798.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom9" elementType="C" x2="12220.0" y2="-3982.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom10" elementType="C" x2="10956.0" y2="-4584.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom11" elementType="C" x2="26724.0" y2="-5132.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom12" elementType="C" x2="13374.0" y2="-4775.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom13" elementType="C" x2="1272.0" y2="-4200.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom14" elementType="C" x2="25460.0" y2="-5734.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom15" elementType="C" x2="14638.0" y2="-4173.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom16" elementType="C" x2="24307.0" y2="-4940.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom17" elementType="C" x2="15791.0" y2="-4967.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom18" elementType="C" x2="23043.0" y2="-5542.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom19" elementType="C" x2="17055.0" y2="-4365.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom20" elementType="C" x2="21889.0" y2="-4749.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom21" elementType="C" x2="18208.0" y2="-5159.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom22" elementType="C" x2="20625.0" y2="-5351.0"/> <atom id="A-GALACTOSYLCERAMIDE-atom23" elementType="C" x2="19472.0" …

CHEBI CHEBI:32362
structure data: InChI%3D1S%2FC7H14O2%2Fc1-2-3-4-5-6-7%288%299%2Fh2-6H2%2C1H3%2C%28H%2C8%2C9%29%2Fp-1

CHEBI CHEBI:8491
structure data: InChI%3D1S%2FC20H24N2OS%2Fc1-5-18%2823%2915-10-11-20-17%2812-15%2922%2813-14%282%2921%283%294%2916-8-6-7-9-19%2816%2924-20%2Fh6-12%2C14H%2C5%2C13H2%2C1-4H3

biopax-level3ChemicalStructure132759
structure data: <atom id="CPD-1137-atom1" elementType="N" x2="65070.0" y2="-159970.0"/> <atom id="CPD-1137-atom2" elementType="C" x2="65070.0" y2="-76560.0"/> <atom id="CPD-1137-atom3" elementType="N" x2="136530.0" y2="-34380.0"/> <atom id="CPD-1137-atom4" elementType="C" x2="136530.0" y2="-201210.0"/> <atom id="CPD-1137-atom5" elementType="C" x2="208880.0" y2="-159970.0"/> <atom id="CPD-1137-atom6" elementType="C" x2="208880.0" y2="-76560.0"/> <atom id="CPD-1137-atom7" elementType="C" x2="353270.0" y2="-159970.0"/> <atom id="CPD-1137-atom8" elementType="N" x2="281070.0" y2="-201930.0"/> <atom id="CPD-1137-atom9" elementType="N" x2="136300.0" y2="-283710.0"/> <atom id="CPD-1137-atom10" elementType="N" x2="353100.0" y2="-76560.0"/> <atom id="CPD-1137-atom11" elementType="O" x2="250660.0" y2="17430.0"/> <atom id="CPD-1137-atom12" elementType="O" x2="-6560.0" y2="94620.0"/> <atom id="CPD-1137-atom13" elementType="C" x2="318880.0" y2="66770.0"/> <atom id="CPD-1137-atom14" elementType="C" x2="293900.0" y2="144270.0"/> <atom id="CPD-1137-atom15" elementType="C" x2="209690.0" y2="144270.0"/> <atom id="CPD-1137-atom16" elementType="C" x2="183500.0" y2="65560.0"/> <atom id="CPD-1137-atom17" elementType="C" x2="106260.0" y2="41270.0"/> <atom id="CPD-1137-atom18" elementType="P" x2="-138180.0" y2="96110.0"/> <atom id="CPD-1137-atom19" elementType="O" x2="-137590.0" y2="12720.0" formalCharge="-1"/> <atom id="CPD-1137-atom20" elementType="O" x2="-221130.0" y2="94690.0"/> <atom id="CPD-1137-atom21" elementType="O" x2="-138290.0" y2="270730.0"/> <atom id="CPD-1137-atom22" elementType="O" x2="-51850.0" y2="437240.0"/> <atom id="CPD-1137-atom23" elementType="P" x2="-137710.0" y2="438940.0"/> <atom id="CPD-1137-atom24" elementType="O" x2="-220660.0" y2="437520.0"/> <atom id="CPD-1137-atom25" elementType="O" x2="-139200.0" y2="536560.0" formalCharge="-1"/> <atom id="CPD-1137-atom26" elementType="C" x2="19300.0" y2="396150.0"/> <atom id="CPD-1137-atom27" elementType="C" x2="90750.0" y2="437380.0"/> <a…

biopax-level3ChemicalStructure138399
structure data: <atom id="PUTRESCINE-atom1" elementType="N" x2="-1788.0" y2="-1788.0" formalCharge="1"/> <atom id="PUTRESCINE-atom2" elementType="C" x2="348.0" y2="-1375.0"/> <atom id="PUTRESCINE-atom3" elementType="C" x2="-1074.0" y2="-1375.0"/> <atom id="PUTRESCINE-atom4" elementType="N" x2="1782.0" y2="-1375.0" formalCharge="1"/> <atom id="PUTRESCINE-atom5" elementType="C" x2="1068.0" y2="-1788.0"/> <atom id="PUTRESCINE-atom6" elementType="C" x2="-360.0" y2="-1788.0"/> <bond id="PUTRESCINE-bond1" atomRefs="PUTRESCINE-atom6 PUTRESCINE-atom3" order="1"/> <bond id="PUTRESCINE-bond2" atomRefs="PUTRESCINE-atom5 PUTRESCINE-atom2" order="1"/> <bond id="PUTRESCINE-bond3" atomRefs="PUTRESCINE-atom4 PUTRESCINE-atom5" order="1"/> <bond id="PUTRESCINE-bond4" atomRefs="PUTRESCINE-atom3 PUTRESCINE-atom1" order="1"/> <bond id="PUTRESCINE-bond5" atomRefs="PUTRESCINE-atom2 PUTRESCINE-atom6" order="1"/> <formula concise="H 14 C 4 N 2"/> 90.168 C([N+])CCC[N+] 1,4-butanediamine

CHEBI CHEBI:27428
structure data: InChI%3D1S%2FC27H46O3%2Fc1-17%2816-28%296-5-7-18%282%2921-8-9-22-25-23%2811-13-27%2821%2C22%294%2926%283%2912-10-20%2829%2914-19%2826%2915-24%2825%2930%2Fh16-25%2C29-30H%2C5-15H2%2C1-4H3%2Ft17%3F%2C18-%2C19%2B%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:8082
structure data: InChI%3D1S%2FC8H8O2%2Fc1-7%289%2910-8-5-3-2-4-6-8%2Fh2-6H%2C1H3

CHEBI CHEBI:33161
structure data: InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-7-8-9-10%2811%2912%2Fh6-7H%2C2-5%2C8-9H2%2C1H3%2C%28H%2C11%2C12%29%2Fp-1%2Fb7-6-

biopax-level3ChemicalStructure161697
structure data: <cml> <molecule id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY" title="alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2" formalCharge="0" dictRef="dictALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY"> <atomArray> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom1" elementType="O" x2="830.0" y2="-560000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom2" elementType="O" x2="170870.0" y2="-968260.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom3" elementType="O" x2="242490.0" y2="0.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom4" elementType="O" x2="0.0" y2="-140000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom5" elementType="O" x2="484970.0" y2="-140000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom6" elementType="O" x2="242580.0" y2="-573190.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom7" elementType="O" x2="727360.0" y2="-559550.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom8" elementType="R" x2="864480.0" y2="-785630.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom9" elementType="C" x2="0.0" y2="-420000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom10" elementType="C" x2="250450.0" y2="-853080.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom11" elementType="O" x2="735240.0" y2="-839440.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom12" elementType="O" x2="492840.0" y2="-846260.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom13" elementType="O" x2="242490.0" y2="-420000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom14" elementType="O" x2="481030.0" y2="-426420.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom15" elementType="C" x2="242490.0" y2="-140000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom16" elementType="C" x2="121240.0" y2="-210000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom17" elementType="C" x2="363730.0" y2="-210000.0"/> <atom id="ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY-atom18" elementType="C" x2="365740.…

biopax-level3ChemicalStructure160598
structure data: <cml> <molecule id="III2-a-Fucosyllactotetraosylceramides" title="III2-alpha-fucosyllactotetraosylceramide" formalCharge="0" dictRef="dictIII2-a-Fucosyllactotetraosylceramides"> <atomArray> <atom id="III2-a-Fucosyllactotetraosylceramides-atom1" elementType="C" x2="2198420.0" y2="-872440.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom2" elementType="C" x2="651440.0" y2="-164890.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom3" elementType="O" x2="511300.0" y2="-122000.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom4" elementType="O" x2="1195740.0" y2="-1058780.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom5" elementType="O" x2="4950.0" y2="-334740.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom6" elementType="O" x2="422200.0" y2="-753640.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom7" elementType="O" x2="687740.0" y2="-916990.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom8" elementType="O" x2="280400.0" y2="-489850.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom9" elementType="O" x2="1187490.0" y2="-727340.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom10" elementType="O" x2="148400.0" y2="0.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom11" elementType="O" x2="0.0" y2="-87340.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom12" elementType="O" x2="992780.0" y2="-694340.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom13" elementType="O" x2="849340.0" y2="-601940.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom14" elementType="O" x2="420540.0" y2="-508000.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom15" elementType="O" x2="707540.0" y2="-508000.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom16" elementType="O" x2="432090.0" y2="-169850.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom17" elementType="R" x2="1273180.0" y2="-961430.0"/> <atom id="III2-a-Fucosyllactotetraosylceramides-atom18" elementType="C" x2="1…

biopax-level3ChemicalStructure163166
structure data: <cml> <molecule id="CPD-415" title="an acylglycerone phosphate" formalCharge="-2" dictRef="dictCPD-415"> <atomArray> <atom id="CPD-415-atom1" elementType="R" x2="13731.0" y2="-19250.0"/> <atom id="CPD-415-atom2" elementType="C" x2="6587.0" y2="-15125.0"/> <atom id="CPD-415-atom3" elementType="O" x2="6614.0" y2="-6874.0"/> <atom id="CPD-415-atom4" elementType="C" x2="-7655.0" y2="-23421.0"/> <atom id="CPD-415-atom5" elementType="O" x2="-509.0" y2="-19296.0"/> <atom id="CPD-415-atom6" elementType="C" x2="-7655.0" y2="-31671.0"/> <atom id="CPD-415-atom7" elementType="C" x2="-7655.0" y2="-39876.0"/> <atom id="CPD-415-atom8" elementType="O" x2="595.0" y2="-31671.0"/> <atom id="CPD-415-atom9" elementType="O" x2="-509.0" y2="-44001.0"/> <atom id="CPD-415-atom10" elementType="P" x2="9292.0" y2="-44110.0"/> <atom id="CPD-415-atom11" elementType="O" x2="9129.0" y2="-52175.0" formalCharge="-1"/> <atom id="CPD-415-atom12" elementType="O" x2="18410.0" y2="-44191.0"/> <atom id="CPD-415-atom13" elementType="O" x2="9180.0" y2="-34992.0" formalCharge="-1"/> </atomArray> <bondArray> <bond id="CPD-415-bond1" atomRefs="CPD-415-atom9 CPD-415-atom10" order="1"/> <bond id="CPD-415-bond2" atomRefs="CPD-415-atom10 CPD-415-atom13" order="1"/> <bond id="CPD-415-bond3" atomRefs="CPD-415-atom10 CPD-415-atom12" order="2"/> <bond id="CPD-415-bond4" atomRefs="CPD-415-atom10 CPD-415-atom11" order="1"/> <bond id="CPD-415-bond5" atomRefs="CPD-415-atom7 CPD-415-atom9" order="1"/> <bond id="CPD-415-bond6" atomRefs="CPD-415-atom6 CPD-415-atom8" order="2"/> <bond id="CPD-415-bond7" atomRefs="CPD-415-atom6 CPD-415-atom7" order="1"/> <bond id="CPD-415-bond8" atomRefs="CPD-415-atom4 CPD-415-atom6" order="1"/> <bond id="CPD-415-bond9" atomRefs="CPD-415-atom4 CPD-415-atom5" order="1"/> <bond id="CPD-415-bond10" atomRefs="CPD-415-atom1 CPD-415-atom2" order="1"/> <bond id="CPD-415-bond11" atomRefs="CPD-415-atom2 CPD-415-atom3" order="2"/> <bond id="CPD-415-bond12" atomRefs="CPD-415-atom2 CPD-415-atom5" order="1…

biopax-level3ChemicalStructure170472
structure data: <cml> <molecule id="PROCOLLAGEN-L-PROLINE" title="[procollagen]-L-proline" formalCharge="0" dictRef="dictPROCOLLAGEN-L-PROLINE"> <atomArray> <atom id="PROCOLLAGEN-L-PROLINE-atom1" elementType="H" x2="2932.0" y2="-738.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom2" elementType="O" x2="4870.0" y2="-896.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom3" elementType="R" x2="4090.0" y2="-3267.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom4" elementType="R" x2="1159.0" y2="-3673.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom5" elementType="C" x2="475.0" y2="0.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom6" elementType="C" x2="0.0" y2="-1420.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom7" elementType="C" x2="1914.0" y2="0.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom8" elementType="C" x2="3761.0" y2="-1847.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom9" elementType="N" x2="1195.0" y2="-2273.0"/> <atom id="PROCOLLAGEN-L-PROLINE-atom10" elementType="C" x2="2371.0" y2="-1414.0"/> </atomArray> <bondArray> <bond id="PROCOLLAGEN-L-PROLINE-bond1" atomRefs="PROCOLLAGEN-L-PROLINE-atom9 PROCOLLAGEN-L-PROLINE-atom10" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond2" atomRefs="PROCOLLAGEN-L-PROLINE-atom8 PROCOLLAGEN-L-PROLINE-atom10" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond3" atomRefs="PROCOLLAGEN-L-PROLINE-atom7 PROCOLLAGEN-L-PROLINE-atom10" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond4" atomRefs="PROCOLLAGEN-L-PROLINE-atom6 PROCOLLAGEN-L-PROLINE-atom9" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond5" atomRefs="PROCOLLAGEN-L-PROLINE-atom5 PROCOLLAGEN-L-PROLINE-atom7" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond6" atomRefs="PROCOLLAGEN-L-PROLINE-atom5 PROCOLLAGEN-L-PROLINE-atom6" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond7" atomRefs="PROCOLLAGEN-L-PROLINE-atom4 PROCOLLAGEN-L-PROLINE-atom9" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond8" atomRefs="PROCOLLAGEN-L-PROLINE-atom3 PROCOLLAGEN-L-PROLINE-atom8" order="1"/> <bond id="PROCOLLAGEN-L-PROLINE-bond9" atomRefs="PROCOLLAGEN-L-PROLINE-atom2 PRO…

CHEBI CHEBI:16566
structure data: InChI%3D1S%2FC18H39NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18%2821%2917%2819%2916-20%2Fh17-18%2C20-21H%2C2-16%2C19H2%2C1H3%2Ft17-%2C18%2B%2Fm0%2Fs1

CHEBI CHEBI:64557
structure data: InChI%3D1S%2FC11H14O4%2Fc1-14-9-6-8%284-3-5-12%297-10%2815-2%2911%289%2913%2Fh3-4%2C6-7%2C12-13H%2C5H2%2C1-2H3%2Fb4-3%2B

biopax-level3ChemicalStructure165076
structure data: <cml> <molecule id="CPD-7251" title="peroxiredoxin-(S-hydroxycysteine)" formalCharge="0"> <atomArray> <atom id="CPD-7251-atom1" elementType="R" x2="-33516.0" y2="-22982.0"/> <atom id="CPD-7251-atom2" elementType="C" x2="-26371.0" y2="-18857.0"/> <atom id="CPD-7251-atom3" elementType="N" x2="-19227.0" y2="-22982.0"/> <atom id="CPD-7251-atom4" elementType="C" x2="-12082.0" y2="-18857.0"/> <atom id="CPD-7251-atom5" elementType="C" x2="-4937.0" y2="-22982.0"/> <atom id="CPD-7251-atom6" elementType="N" x2="2208.0" y2="-18857.0"/> <atom id="CPD-7251-atom7" elementType="R" x2="9352.0" y2="-22982.0"/> <atom id="CPD-7251-atom8" elementType="O" x2="-26371.0" y2="-10607.0"/> <atom id="CPD-7251-atom9" elementType="C" x2="-12082.0" y2="-10607.0"/> <atom id="CPD-7251-atom10" elementType="S" x2="-6248.0" y2="-4774.0"/> <atom id="CPD-7251-atom11" elementType="O" x2="-6248.0" y2="3476.0"/> <atom id="CPD-7251-atom12" elementType="O" x2="-4937.0" y2="-31232.0"/> </atomArray> <bondArray> <bond id="CPD-7251-bond1" atomRefs="CPD-7251-atom1 CPD-7251-atom2" order="1"/> <bond id="CPD-7251-bond2" atomRefs="CPD-7251-atom2 CPD-7251-atom3" order="1"/> <bond id="CPD-7251-bond3" atomRefs="CPD-7251-atom3 CPD-7251-atom4" order="1"/> <bond id="CPD-7251-bond4" atomRefs="CPD-7251-atom4 CPD-7251-atom5" order="1"/> <bond id="CPD-7251-bond5" atomRefs="CPD-7251-atom5 CPD-7251-atom6" order="1"/> <bond id="CPD-7251-bond6" atomRefs="CPD-7251-atom6 CPD-7251-atom7" order="1"/> <bond id="CPD-7251-bond7" atomRefs="CPD-7251-atom2 CPD-7251-atom8" order="2"/> <bond id="CPD-7251-bond8" atomRefs="CPD-7251-atom9 CPD-7251-atom4" order="1"/> <bond id="CPD-7251-bond9" atomRefs="CPD-7251-atom9 CPD-7251-atom10" order="1"/> <bond id="CPD-7251-bond10" atomRefs="CPD-7251-atom10 CPD-7251-atom11" order="1"/> <bond id="CPD-7251-bond11" atomRefs="CPD-7251-atom5 CPD-7251-atom12" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)(NC(CSO)C(=O)N[R])[R]</string> </molecule> </cml>

CHEBI CHEBI:15946
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-1-3%288%295%2810%296%2811%294%289%292-15-16%2812%2C13%2914%2Fh4-7%2C9-11H%2C1-2H2%2C%28H2%2C12%2C13%2C14%29%2Ft4-%2C5-%2C6-%2Fm1%2Fs1

biopax-level3ChemicalStructure159994
structure data: <cml> <molecule id="POLY-GLUCOSYLATED-GLYCOGENINS" title="a glucosylated glycogenin" formalCharge="0" dictRef="dictPOLY-GLUCOSYLATED-GLYCOGENINS"> <atomArray> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom1" elementType="C" x2="11341.0" y2="3514.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom2" elementType="C" x2="10517.0" y2="3559.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom3" elementType="C" x2="10596.0" y2="4986.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom4" elementType="C" x2="11420.0" y2="4940.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom5" elementType="C" x2="11791.0" y2="4204.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom6" elementType="Protein" x2="12617.0" y2="4204.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom7" elementType="C" x2="10145.0" y2="4296.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom8" elementType="C" x2="8495.0" y2="4296.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom9" elementType="C" x2="8094.0" y2="5016.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom10" elementType="C" x2="7269.0" y2="5030.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom11" elementType="C" x2="6845.0" y2="4322.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom12" elementType="C" x2="7246.0" y2="3601.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom13" elementType="C" x2="6663.0" y2="3018.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom14" elementType="O" x2="9320.0" y2="4296.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom15" elementType="O" x2="8507.0" y2="5730.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom16" elementType="O" x2="6857.0" y2="5744.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom17" elementType="O" x2="6663.0" y2="2193.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom18" elementType="O" x2="8071.0" y2="3588.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom19" elementType="O" x2="6020.0" y2="4322.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENINS-atom20" elementType="C" x2="5194.0" y2="4322.0"/> <atom id="POLY-GLUCOSYLATED-GLYCOGENI…

biopax-level3ChemicalStructure169030
structure data: <atom id="ALDOSTERONE-atom1" elementType="O" x2="-71120.0" y2="-171640.0"/> <atom id="ALDOSTERONE-atom2" elementType="C" x2="-10430.0" y2="-36030.0"/> <atom id="ALDOSTERONE-atom3" elementType="O" x2="-291120.0" y2="137500.0"/> <atom id="ALDOSTERONE-atom4" elementType="C" x2="-155520.0" y2="-36030.0"/> <atom id="ALDOSTERONE-atom5" elementType="C" x2="134650.0" y2="-116640.0"/> <atom id="ALDOSTERONE-atom6" elementType="C" x2="-10430.0" y2="134650.0"/> <atom id="ALDOSTERONE-atom7" elementType="C" x2="-80600.0" y2="-75860.0"/> <atom id="ALDOSTERONE-atom8" elementType="C" x2="62580.0" y2="1900.0"/> <atom id="ALDOSTERONE-atom9" elementType="C" x2="265510.0" y2="-116640.0"/> <atom id="ALDOSTERONE-atom10" elementType="C" x2="209570.0" y2="-159310.0"/> <atom id="ALDOSTERONE-atom11" elementType="C" x2="134650.0" y2="-206720.0"/> <atom id="ALDOSTERONE-atom12" elementType="C" x2="134650.0" y2="-36030.0"/> <atom id="ALDOSTERONE-atom13" elementType="C" x2="-227580.0" y2="85340.0"/> <atom id="ALDOSTERONE-atom14" elementType="C" x2="-155520.0" y2="134650.0"/> <atom id="ALDOSTERONE-atom15" elementType="C" x2="-80600.0" y2="85340.0"/> <atom id="ALDOSTERONE-atom16" elementType="C" x2="265510.0" y2="-36030.0"/> <atom id="ALDOSTERONE-atom17" elementType="C" x2="-227580.0" y2="7590.0"/> <atom id="ALDOSTERONE-atom18" elementType="O" x2="289220.0" y2="-291120.0"/> <atom id="ALDOSTERONE-atom19" elementType="C" x2="209570.0" y2="-291120.0"/> <atom id="ALDOSTERONE-atom20" elementType="C" x2="209570.0" y2="-229480.0"/> <atom id="ALDOSTERONE-atom21" elementType="C" x2="62580.0" y2="-159310.0"/> <atom id="ALDOSTERONE-atom22" elementType="O" x2="134650.0" y2="-289220.0"/> <atom id="ALDOSTERONE-atom23" elementType="C" x2="-80600.0" y2="6640.0"/> <atom id="ALDOSTERONE-atom24" elementType="C" x2="62580.0" y2="85340.0"/> <atom id="ALDOSTERONE-atom25" elementType="C" x2="-10430.0" y2="-116640.0"/> <atom id="ALDOSTERONE-atom26" elementType="O" x2="290170.0" y2="-229480.0"/> <bond id="ALDOSTERONE-bond1"…

biopax-level3ChemicalStructure166853
structure data: <atom id="FADH2-atom1" elementType="N" x2="2843.0" y2="-36966.0"/> <atom id="FADH2-atom2" elementType="C" x2="-49315.0" y2="-24129.0"/> <atom id="FADH2-atom3" elementType="N" x2="29166.0" y2="16330.0"/> <atom id="FADH2-atom4" elementType="C" x2="-34528.0" y2="-41190.0"/> <atom id="FADH2-atom5" elementType="C" x2="-11942.0" y2="-36966.0"/> <atom id="FADH2-atom6" elementType="C" x2="36316.0" y2="28841.0"/> <atom id="FADH2-atom7" elementType="O" x2="36478.0" y2="2518.0"/> <atom id="FADH2-atom8" elementType="O" x2="-27216.0" y2="-13080.0"/> <atom id="FADH2-atom9" elementType="C" x2="2843.0" y2="-28516.0"/> <atom id="FADH2-atom10" elementType="C" x2="-4793.0" y2="-41190.0"/> <atom id="FADH2-atom11" elementType="O" x2="-11618.0" y2="7718.0"/> <atom id="FADH2-atom12" elementType="C" x2="-42328.0" y2="-36966.0"/> <atom id="FADH2-atom13" elementType="C" x2="-19092.0" y2="1056.0"/> <atom id="FADH2-atom14" elementType="N" x2="43628.0" y2="16817.0"/> <atom id="FADH2-atom15" elementType="C" x2="43628.0" y2="-1056.0"/> <atom id="FADH2-atom16" elementType="O" x2="-5118.0" y2="15842.0"/> <atom id="FADH2-atom17" elementType="O" x2="4306.0" y2="7718.0"/> <atom id="FADH2-atom18" elementType="O" x2="32254.0" y2="-11618.0"/> <atom id="FADH2-atom19" elementType="N" x2="-19417.0" y2="-24292.0"/> <atom id="FADH2-atom20" elementType="O" x2="20067.0" y2="7718.0"/> <atom id="FADH2-atom21" elementType="C" x2="-19092.0" y2="-13080.0"/> <atom id="FADH2-atom22" elementType="O" x2="-27216.0" y2="1056.0"/> <atom id="FADH2-atom23" elementType="C" x2="-27216.0" y2="-28516.0"/> <atom id="FADH2-atom24" elementType="N" x2="-19417.0" y2="-41190.0"/> <atom id="FADH2-atom25" elementType="C" x2="32254.0" y2="-6743.0"/> <atom id="FADH2-atom26" elementType="O" x2="-5118.0" y2="-406.0" formalCharge="-1"/> <atom id="FADH2-atom27" elementType="O" x2="-27216.0" y2="-6093.0"/> <atom id="FADH2-atom28" elementType="C" x2="-19092.0" y2="-6093.0"/> <atom id="FADH2-atom29" elementType="N" x2="28841.0" y2="40865.0"/> <a…

CHEBI CHEBI:17044
structure data: InChI%3D1S%2FC6H15O9P%2Fc7-1-3%288%295%2810%296%2811%294%289%292-15-16%2812%2C13%2914%2Fh3-11H%2C1-2H2%2C%28H2%2C12%2C13%2C14%29%2Ft3-%2C4%2B%2C5%2B%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:17347
structure data: InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh11%2C14-17%2C21H%2C3-10H2%2C1-2H3%2Ft14-%2C15-%2C16-%2C17-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure139291
structure data: <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom1" elementType="O" x2="496330.0" y2="172590.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom2" elementType="C" x2="447450.0" y2="106250.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom3" elementType="N" x2="312130.0" y2="-212670.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom4" elementType="C" x2="312130.0" y2="-130170.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom5" elementType="N" x2="383580.0" y2="-88910.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom6" elementType="C" x2="383580.0" y2="-253920.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom7" elementType="N" x2="533460.0" y2="-237680.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom8" elementType="C" x2="455020.0" y2="-212670.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom9" elementType="C" x2="454680.0" y2="-130280.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom10" elementType="N" x2="533010.0" y2="-104620.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom11" elementType="C" x2="581490.0" y2="-171260.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom12" elementType="N" x2="382710.0" y2="-336420.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom13" elementType="C" x2="-235590.0" y2="101300.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom14" elementType="C" x2="-210090.0" y2="22840.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom15" elementType="O" x2="-276840.0" y2="-25660.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom16" elementType="C" x2="-343580.0" y2="22840.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom17" elementType="C" x2="-318090.0" y2="101300.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom18" elementType="C" x2="-131090.0" y2="910.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom19" elementType="O" x2="-415260.0" y2="-18790.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom20" elementType="O" x2="-360260.0" y2="172340.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom21" elementType="O" x2="-214970.0" y2="180590.0"/> <atom id="ADENOSINE_DIPHOSPHATE_RIBOSE-atom…

CHEBI CHEBI:57401
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh12-13%2C16-17%2C19%2C23H%2C2-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fp-1%2Fb13-12%2B%2Ft16-%2C17-%2C19-%2Fm1%2Fs1

biopax-level3ChemicalStructure144138
structure data: <cml> <molecule id="Keratan-galactose" title="[keratan]-galactose" formalCharge="0"> <atomArray> <atom id="Keratan-galactose-atom1" elementType="O" x2="1694.0" y2="1323.0"/> <atom id="Keratan-galactose-atom2" elementType="O" x2="1693.0" y2="1050.0"/> <atom id="Keratan-galactose-atom3" elementType="O" x2="1836.0" y2="1051.0"/> <atom id="Keratan-galactose-atom4" elementType="O" x2="1550.0" y2="1215.0"/> <atom id="Keratan-galactose-atom5" elementType="O" x2="1837.0" y2="1216.0"/> <atom id="Keratan-galactose-atom6" elementType="C" x2="1694.0" y2="1216.0"/> <atom id="Keratan-galactose-atom7" elementType="C" x2="1766.0" y2="1175.0"/> <atom id="Keratan-galactose-atom8" elementType="C" x2="1622.0" y2="1174.0"/> <atom id="Keratan-galactose-atom9" elementType="C" x2="1766.0" y2="1092.0"/> <atom id="Keratan-galactose-atom10" elementType="C" x2="1622.0" y2="1092.0"/> <atom id="Keratan-galactose-atom11" elementType="C" x2="1550.0" y2="1050.0"/> <atom id="Keratan-galactose-atom12" elementType="R2" x2="1623.0" y2="1364.0"/> <atom id="Keratan-galactose-atom13" elementType="R1" x2="1836.0" y2="969.0"/> <atom id="Keratan-galactose-atom14" elementType="O" x2="1478.0" y2="1092.0"/> </atomArray> <bondArray> <bond id="Keratan-galactose-bond1" atomRefs="Keratan-galactose-atom6 Keratan-galactose-atom1" order="1"/> <bond id="Keratan-galactose-bond2" atomRefs="Keratan-galactose-atom2 Keratan-galactose-atom9" order="1"/> <bond id="Keratan-galactose-bond3" atomRefs="Keratan-galactose-atom2 Keratan-galactose-atom10" order="1"/> <bond id="Keratan-galactose-bond4" atomRefs="Keratan-galactose-atom9 Keratan-galactose-atom3" order="1"/> <bond id="Keratan-galactose-bond5" atomRefs="Keratan-galactose-atom8 Keratan-galactose-atom4" order="1"/> <bond id="Keratan-galactose-bond6" atomRefs="Keratan-galactose-atom7 Keratan-galactose-atom5" order="1"/> <bond id="Keratan-galactose-bond7" atomRefs="Keratan-galactose-atom6 Keratan-galactose-atom7" order="1"/> <bond id="Keratan-galactose-bond8" atomRefs="Kerata…

biopax-level3ChemicalStructure143904
structure data: <atom id="CPD-8974-atom1" elementType="C" x2="-121020.0" y2="-3130.0"/> <atom id="CPD-8974-atom2" elementType="C" x2="1980.0" y2="-154260.0"/> <atom id="CPD-8974-atom3" elementType="O" x2="-19380.0" y2="-74570.0"/> <atom id="CPD-8974-atom4" elementType="O" x2="-49570.0" y2="38120.0"/> <atom id="CPD-8974-atom5" elementType="O" x2="93320.0" y2="-44380.0" formalCharge="-1"/> <atom id="CPD-8974-atom6" elementType="S" x2="63120.0" y2="68320.0"/> <atom id="CPD-8974-atom7" elementType="P" x2="21870.0" y2="-3130.0"/> <bond id="CPD-8974-bond1" atomRefs="CPD-8974-atom3 CPD-8974-atom2" order="1"/> <bond id="CPD-8974-bond2" atomRefs="CPD-8974-atom4 CPD-8974-atom1" order="1"/> <bond id="CPD-8974-bond3" atomRefs="CPD-8974-atom7 CPD-8974-atom3" order="1"/> <bond id="CPD-8974-bond4" atomRefs="CPD-8974-atom7 CPD-8974-atom6" order="2"/> <bond id="CPD-8974-bond5" atomRefs="CPD-8974-atom7 CPD-8974-atom4" order="1"/> <bond id="CPD-8974-bond6" atomRefs="CPD-8974-atom7 CPD-8974-atom5" order="1"/> <formula concise="H 6 P 1 S 1 O 3 C 2"/> 141.101 COP([O-])(=S)OC

biopax-level3ChemicalStructure158631
structure data: <atom id="ADENOSYLCOBINAMIDE-atom1" elementType="C" x2="26000.0" y2="-139662.0"/> <atom id="ADENOSYLCOBINAMIDE-atom2" elementType="C" x2="33235.0" y2="-135536.0"/> <atom id="ADENOSYLCOBINAMIDE-atom3" elementType="C" x2="43630.0" y2="-133155.0"/> <atom id="ADENOSYLCOBINAMIDE-atom4" elementType="C" x2="39390.0" y2="-137827.0"/> <atom id="ADENOSYLCOBINAMIDE-atom5" elementType="N" x2="33547.0" y2="-127506.0" formalCharge="1"/> <atom id="ADENOSYLCOBINAMIDE-atom6" elementType="C" x2="45222.0" y2="-120403.0"/> <atom id="ADENOSYLCOBINAMIDE-atom7" elementType="C" x2="41156.0" y2="-127242.0"/> <atom id="ADENOSYLCOBINAMIDE-atom8" elementType="C" x2="41288.0" y2="-113462.0"/> <atom id="ADENOSYLCOBINAMIDE-atom9" elementType="C" x2="44304.0" y2="-107802.0"/> <atom id="ADENOSYLCOBINAMIDE-atom10" elementType="N" x2="33285.0" y2="-113359.0" formalCharge="1"/> <atom id="ADENOSYLCOBINAMIDE-atom11" elementType="N" x2="18854.0" y2="-126965.0" formalCharge="1"/> <atom id="ADENOSYLCOBINAMIDE-atom12" elementType="C" x2="18854.0" y2="-135536.0"/> <atom id="ADENOSYLCOBINAMIDE-atom13" elementType="C" x2="12953.0" y2="-137828.0"/> <atom id="ADENOSYLCOBINAMIDE-atom14" elementType="C" x2="8324.0" y2="-132875.0"/> <atom id="ADENOSYLCOBINAMIDE-atom15" elementType="C" x2="11510.0" y2="-126967.0"/> <atom id="ADENOSYLCOBINAMIDE-atom16" elementType="C" x2="20524.0" y2="-106460.0"/> <atom id="ADENOSYLCOBINAMIDE-atom17" elementType="N" x2="20684.0" y2="-113197.0"/> <atom id="ADENOSYLCOBINAMIDE-atom18" elementType="C" x2="11977.0" y2="-113045.0"/> <atom id="ADENOSYLCOBINAMIDE-atom19" elementType="C" x2="9971.0" y2="-107465.0"/> <atom id="ADENOSYLCOBINAMIDE-atom20" elementType="C" x2="14627.0" y2="-102495.0"/> <atom id="ADENOSYLCOBINAMIDE-atom21" elementType="C" x2="38313.0" y2="-101629.0"/> <atom id="ADENOSYLCOBINAMIDE-atom22" elementType="C" x2="33393.0" y2="-106143.0"/> <atom id="ADENOSYLCOBINAMIDE-atom23" elementType="C" x2="27624.0" y2="-102836.0"/> <atom id="ADENOSYLCOBINAMIDE-atom24" elementType="C…

CHEBI CHEBI:32377
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh12-13H%2C2-11%2C14-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb13-12%2B

CHEBI CHEBI:17431
structure data: InChI%3D1S%2FC5H14N4%2Fc6-3-1-2-4-9-5%287%298%2Fh1-4%2C6H2%2C%28H4%2C7%2C8%2C9%29

CHEBI CHEBI:57946
structure data: InChI%3D1S%2FC9H13NO%2Fc1-10-7-9%2811%298-5-3-2-4-6-8%2Fh2-6%2C9-11H%2C7H2%2C1H3%2Fp%2B1

CHEBI CHEBI:15809
structure data: InChI%3D1S%2FC31H55O9P%2Fc1-22%282%2911-7-12-23%283%2913-8-14-24%284%2915-9-16-25%285%2917-10-18-26%286%2919-20-38-41%2836%2C37%2940-31-30%2835%2929%2834%2928%2833%2927%2821-32%2939-31%2Fh11%2C13%2C15%2C17%2C26-35H%2C7-10%2C12%2C14%2C16%2C18-21H2%2C1-6H3%2C%28H%2C36%2C37%29%2Fb23-13%2B%2C24-15%2B%2C25-17-%2Ft26%3F%2C27-%2C28-%2C29%2B%2C30%2B%2C31%3F%2Fm1%2Fs1

CHEBI CHEBI:16302
structure data: InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3%2Fb9-6-%2C12-11%2B%2C16-8%2B%2C17-13%2B

CHEBI CHEBI:34768
structure data: InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H

CHEBI CHEBI:17177
structure data: InChI%3D1S%2FC9H10O%2Fc10-8-4-7-9-5-2-1-3-6-9%2Fh1-7%2C10H%2C8H2

CHEBI CHEBI:32393
structure data: InChI%3D1S%2FC22H42O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22%2823%2924%2Fh9-10H%2C2-8%2C11-21H2%2C1H3%2C%28H%2C23%2C24%29%2Fp-1%2Fb10-9-

CHEBI CHEBI:61686
structure data: InChI%3D1S%2FC15H26O%2Fc1-10%282%2913-6-5-12%284%2915%2816%298-7-11%283%299-14%2813%2915%2Fh9-10%2C12-14%2C16H%2C5-8H2%2C1-4H3%2Ft12-%2C13%2B%2C14%2B%2C15%2B%2Fm0%2Fs1

CHEBI CHEBI:17512
structure data: InChI%3D1S%2FC13H24O10%2Fc1-4-6%2815%298%2817%2910%2819%2912%2821-4%2923-11-9%2818%297%2816%295%283-14%2922-13%2811%2920-2%2Fh4-19H%2C3H2%2C1-2H3%2Ft4-%2C5%2B%2C6%2B%2C7-%2C8%2B%2C9-%2C10-%2C11%2B%2C12-%2C13%2B%2Fm0%2Fs1

CHEBI CHEBI:55523
structure data: InChI%3D1S%2FC9H16O3%2Fc1-2-3-4-5-6-7-8%2810%299%2811%2912%2Fh2-7H2%2C1H3%2C%28H%2C11%2C12%29

CHEBI CHEBI:17497
structure data: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)

biopax-level3ChemicalStructure159827
structure data: <atom id="CPD-2750-atom1" elementType="C" x2="2895.0" y2="-398.0"/> <atom id="CPD-2750-atom2" elementType="O" x2="4263.0" y2="-1516.0"/> <atom id="CPD-2750-atom3" elementType="O" x2="3946.0" y2="-2510.0"/> <atom id="CPD-2750-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-2750-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-2750-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-2750-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-2750-atom8" elementType="C" x2="2305.0" y2="-2418.0"/> <atom id="CPD-2750-atom9" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-2750-atom10" elementType="C" x2="3489.0" y2="-1800.0"/> <atom id="CPD-2750-atom11" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-2750-atom12" elementType="N" x2="2899.0" y2="-1223.0"/> <atom id="CPD-2750-atom13" elementType="C" x2="3121.0" y2="-2539.0"/> <atom id="CPD-2750-atom14" elementType="C" x2="2168.0" y2="-1605.0"/> <bond id="CPD-2750-bond1" atomRefs="CPD-2750-atom12 CPD-2750-atom14" order="1"/> <bond id="CPD-2750-bond2" atomRefs="CPD-2750-atom11 CPD-2750-atom14" order="1"/> <bond id="CPD-2750-bond3" atomRefs="CPD-2750-atom10 CPD-2750-atom13" order="1"/> <bond id="CPD-2750-bond4" atomRefs="CPD-2750-atom10 CPD-2750-atom12" order="1"/> <bond id="CPD-2750-bond5" atomRefs="CPD-2750-atom14 CPD-2750-atom8" order="1"/> <bond id="CPD-2750-bond6" atomRefs="CPD-2750-atom8 CPD-2750-atom13" order="1"/> <bond id="CPD-2750-bond7" atomRefs="CPD-2750-atom11 CPD-2750-atom7" order="2"/> <bond id="CPD-2750-bond8" atomRefs="CPD-2750-atom7 CPD-2750-atom9" order="1"/> <bond id="CPD-2750-bond9" atomRefs="CPD-2750-atom6 CPD-2750-atom11" order="1"/> <bond id="CPD-2750-bond10" atomRefs="CPD-2750-atom9 CPD-2750-atom5" order="2"/> <bond id="CPD-2750-bond11" atomRefs="CPD-2750-atom4 CPD-2750-atom6" order="2"/> <bond id="CPD-2750-bond12" atomRefs="CPD-2750-atom5 CPD-2750-atom4" order="1"/> <bond id="CPD-2750-bond13" atomRefs="CPD-2750-atom13 CPD-2750-atom3" order="1"/> …

biopax-level3ChemicalStructure163890
structure data: <atom id="L-EPINEPHRINE-atom1" elementType="C" x2="-106600.0" y2="-82910.0"/> <atom id="L-EPINEPHRINE-atom2" elementType="C" x2="-178480.0" y2="-207070.0"/> <atom id="L-EPINEPHRINE-atom3" elementType="O" x2="-248730.0" y2="-83730.0"/> <atom id="L-EPINEPHRINE-atom4" elementType="C" x2="247910.0" y2="-129470.0"/> <atom id="L-EPINEPHRINE-atom5" elementType="O" x2="36350.0" y2="-1230.0"/> <atom id="L-EPINEPHRINE-atom6" elementType="O" x2="-248730.0" y2="-247910.0"/> <atom id="L-EPINEPHRINE-atom7" elementType="C" x2="109050.0" y2="-124570.0"/> <atom id="L-EPINEPHRINE-atom8" elementType="C" x2="-178480.0" y2="-124570.0"/> <atom id="L-EPINEPHRINE-atom9" elementType="N" x2="180930.0" y2="-82910.0" formalCharge="1"/> <atom id="L-EPINEPHRINE-atom10" elementType="C" x2="-35530.0" y2="-207070.0"/> <atom id="L-EPINEPHRINE-atom11" elementType="C" x2="36350.0" y2="-82910.0"/> <atom id="L-EPINEPHRINE-atom12" elementType="C" x2="-35530.0" y2="-124570.0"/> <atom id="L-EPINEPHRINE-atom13" elementType="C" x2="-106600.0" y2="-248730.0"/> <bond id="L-EPINEPHRINE-bond1" atomRefs="L-EPINEPHRINE-atom13 L-EPINEPHRINE-atom2" order="1"/> <bond id="L-EPINEPHRINE-bond2" atomRefs="L-EPINEPHRINE-atom1 L-EPINEPHRINE-atom12" order="2"/> <bond id="L-EPINEPHRINE-bond3" atomRefs="L-EPINEPHRINE-atom11 L-EPINEPHRINE-atom12" order="1"/> <bond id="L-EPINEPHRINE-bond4" atomRefs="L-EPINEPHRINE-atom10 L-EPINEPHRINE-atom13" order="2"/> <bond id="L-EPINEPHRINE-bond5" atomRefs="L-EPINEPHRINE-atom12 L-EPINEPHRINE-atom10" order="1"/> <bond id="L-EPINEPHRINE-bond6" atomRefs="L-EPINEPHRINE-atom9 L-EPINEPHRINE-atom7" order="1"/> <bond id="L-EPINEPHRINE-bond7" atomRefs="L-EPINEPHRINE-atom9 L-EPINEPHRINE-atom4" order="1"/> <bond id="L-EPINEPHRINE-bond8" atomRefs="L-EPINEPHRINE-atom7 L-EPINEPHRINE-atom11" order="1"/> <bond id="L-EPINEPHRINE-bond9" atomRefs="L-EPINEPHRINE-atom6 L-EPINEPHRINE-atom2" order="1"/> <bond id="L-EPINEPHRINE-bond10" atomRefs="L-EPINEPHRINE-atom5 L-EPINEPHRINE-atom11" order="1"/> <bond id="L-EPIN…

biopax-level3ChemicalStructure173835
structure data: <atom id="CPD-3484-atom1" elementType="C" x2="3571.0" y2="-412.0"/> <atom id="CPD-3484-atom2" elementType="C" x2="5715.0" y2="-825.0"/> <atom id="CPD-3484-atom3" elementType="C" x2="5000.0" y2="-412.0"/> <atom id="CPD-3484-atom4" elementType="C" x2="5715.0" y2="-1650.0"/> <atom id="CPD-3484-atom5" elementType="O" x2="2857.0" y2="-2474.0"/> <atom id="CPD-3484-atom6" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CPD-3484-atom7" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-3484-atom8" elementType="C" x2="2142.0" y2="-412.0"/> <atom id="CPD-3484-atom9" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-3484-atom10" elementType="N" x2="4286.0" y2="-1650.0" formalCharge="1"/> <atom id="CPD-3484-atom11" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-3484-atom12" elementType="C" x2="2142.0" y2="-1238.0"/> <atom id="CPD-3484-atom13" elementType="C" x2="3571.0" y2="-1238.0"/> <atom id="CPD-3484-atom14" elementType="C" x2="2857.0" y2="-1650.0"/> <atom id="CPD-3484-atom15" elementType="C" x2="5000.0" y2="-1238.0"/> <atom id="CPD-3484-atom16" elementType="CL" x2="1429.0" y2="825.0"/> <bond id="CPD-3484-bond1" atomRefs="CPD-3484-atom13 CPD-3484-atom14" order="1"/> <bond id="CPD-3484-bond2" atomRefs="CPD-3484-atom12 CPD-3484-atom14" order="1"/> <bond id="CPD-3484-bond3" atomRefs="CPD-3484-atom10 CPD-3484-atom15" order="1"/> <bond id="CPD-3484-bond4" atomRefs="CPD-3484-atom10 CPD-3484-atom13" order="1"/> <bond id="CPD-3484-bond5" atomRefs="CPD-3484-atom12 CPD-3484-atom9" order="2"/> <bond id="CPD-3484-bond6" atomRefs="CPD-3484-atom9 CPD-3484-atom11" order="1"/> <bond id="CPD-3484-bond7" atomRefs="CPD-3484-atom8 CPD-3484-atom12" order="1"/> <bond id="CPD-3484-bond8" atomRefs="CPD-3484-atom11 CPD-3484-atom7" order="2"/> <bond id="CPD-3484-bond9" atomRefs="CPD-3484-atom6 CPD-3484-atom8" order="2"/> <bond id="CPD-3484-bond10" atomRefs="CPD-3484-atom7 CPD-3484-atom6" order="1"/> <bond id="CPD-3484-bond11" atomRefs="CPD-3484-atom14 CPD-3484-atom5" order="1"/> …

CHEBI CHEBI:61148
structure data: InChI%3D1S%2FC15H26O%2Fc1-11-6-7-13-14%282%2C3%298-5-9-15%2813%2C4%2912%2811%2910-16%2Fh6%2C12-13%2C16H%2C5%2C7-10H2%2C1-4H3%2Ft12-%2C13-%2C15%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure170308
structure data: <atom id="QUININE-atom1" elementType="C" x2="470450.0" y2="-595090.0"/> <atom id="QUININE-atom2" elementType="C" x2="1760.0" y2="-247480.0"/> <atom id="QUININE-atom3" elementType="O" x2="224510.0" y2="-302730.0"/> <atom id="QUININE-atom4" elementType="C" x2="393450.0" y2="-565460.0"/> <atom id="QUININE-atom5" elementType="C" x2="357240.0" y2="-41250.0"/> <atom id="QUININE-atom6" elementType="C" x2="357240.0" y2="-123750.0"/> <atom id="QUININE-atom7" elementType="C" x2="71450.0" y2="-41250.0"/> <atom id="QUININE-atom8" elementType="C" x2="142900.0" y2="0.0"/> <atom id="QUININE-atom9" elementType="C" x2="142900.0" y2="-165000.0"/> <atom id="QUININE-atom10" elementType="C" x2="504040.0" y2="-307960.0"/> <atom id="QUININE-atom11" elementType="C" x2="466750.0" y2="-381550.0"/> <atom id="QUININE-atom12" elementType="C" x2="473860.0" y2="-435970.0"/> <atom id="QUININE-atom13" elementType="C" x2="330340.0" y2="-370410.0"/> <atom id="QUININE-atom14" elementType="N" x2="285790.0" y2="0.0"/> <atom id="QUININE-atom15" elementType="O" x2="0.0" y2="-165000.0"/> <atom id="QUININE-atom16" elementType="C" x2="71450.0" y2="-123750.0"/> <atom id="QUININE-atom17" elementType="C" x2="285790.0" y2="-165000.0"/> <atom id="QUININE-atom18" elementType="C" x2="214340.0" y2="-41250.0"/> <atom id="QUININE-atom19" elementType="C" x2="214340.0" y2="-123750.0"/> <atom id="QUININE-atom20" elementType="C" x2="406820.0" y2="-484050.0"/> <atom id="QUININE-atom21" elementType="C" x2="285790.0" y2="-247500.0"/> <atom id="QUININE-atom22" elementType="N" x2="425940.0" y2="-334560.0" formalCharge="1"/> <atom id="QUININE-atom23" elementType="C" x2="406730.0" y2="-401550.0"/> <atom id="QUININE-atom24" elementType="C" x2="355390.0" y2="-291800.0"/> <bond id="QUININE-bond1" atomRefs="QUININE-atom22 QUININE-atom24" order="1"/> <bond id="QUININE-bond2" atomRefs="QUININE-atom21 QUININE-atom24" order="1"/> <bond id="QUININE-bond3" atomRefs="QUININE-atom20 QUININE-atom23" order="1"/> <bond id="QUININE-bond4" atomR…

biopax-level3ChemicalStructure170616
structure data: <cml> <molecule id="CPD-6321" title="[procollagen] trans 4-hyroxy-L-proline" formalCharge="0" dictRef="dictCPD-6321"> <atomArray> <atom id="CPD-6321-atom1" elementType="H" x2="16597.0" y2="-4175.0"/> <atom id="CPD-6321-atom2" elementType="O" x2="27569.0" y2="-5072.0"/> <atom id="CPD-6321-atom3" elementType="R1" x2="23152.0" y2="-18494.0"/> <atom id="CPD-6321-atom4" elementType="R1" x2="6561.0" y2="-20793.0"/> <atom id="CPD-6321-atom5" elementType="C" x2="0.0" y2="-8039.0"/> <atom id="CPD-6321-atom6" elementType="C" x2="10834.0" y2="0.0"/> <atom id="CPD-6321-atom7" elementType="C" x2="21289.0" y2="-10455.0"/> <atom id="CPD-6321-atom8" elementType="N" x2="6763.0" y2="-12870.0"/> <atom id="CPD-6321-atom9" elementType="C" x2="13423.0" y2="-8005.0"/> <atom id="CPD-6321-atom10" elementType="C" x2="2691.0" y2="0.0"/> <atom id="CPD-6321-atom11" elementType="O" x2="-1434.0" y2="7145.0"/> </atomArray> <bondArray> <bond id="CPD-6321-bond1" atomRefs="CPD-6321-atom10 CPD-6321-atom11" order="1"/> <bond id="CPD-6321-bond2" atomRefs="CPD-6321-atom1 CPD-6321-atom9" order="1"/> <bond id="CPD-6321-bond3" atomRefs="CPD-6321-atom2 CPD-6321-atom7" order="2"/> <bond id="CPD-6321-bond4" atomRefs="CPD-6321-atom3 CPD-6321-atom7" order="1"/> <bond id="CPD-6321-bond5" atomRefs="CPD-6321-atom4 CPD-6321-atom8" order="1"/> <bond id="CPD-6321-bond6" atomRefs="CPD-6321-atom10 CPD-6321-atom5" order="1"/> <bond id="CPD-6321-bond7" atomRefs="CPD-6321-atom10 CPD-6321-atom6" order="1"/> <bond id="CPD-6321-bond8" atomRefs="CPD-6321-atom5 CPD-6321-atom8" order="1"/> <bond id="CPD-6321-bond9" atomRefs="CPD-6321-atom6 CPD-6321-atom9" order="1"/> <bond id="CPD-6321-bond10" atomRefs="CPD-6321-atom7 CPD-6321-atom9" order="1"/> <bond id="CPD-6321-bond11" atomRefs="CPD-6321-atom8 CPD-6321-atom9" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C1(N([CH](C([R1])=O)CC1O)[R1])</string> </molecule> </cml>

CHEBI CHEBI:27475
structure data: InChI%3D1S%2FC21H20O11%2Fc22-7-16-17%2827%2918%2828%2919%2829%2921%2832-16%2931-15-6-10-12%2825%294-9%2823%295-14%2810%2930-20%2815%298-1-2-11%2824%2913%2826%293-8%2Fh1-6%2C16-19%2C21-22%2C27-29H%2C7H2%2C%28H3-%2C23%2C24%2C25%2C26%29%2Fp%2B1%2Ft16-%2C17%2B%2C18%2B%2C19-%2C21-%2Fm1%2Fs1

CHEBI CHEBI:17606
structure data: InChI%3D1S%2FI2%2Fc1-2

biopax-level3ChemicalStructure161822
structure data: <atom id="CPD-9699-atom1" elementType="C" x2="2382.0" y2="-17136.0"/> <atom id="CPD-9699-atom2" elementType="C" x2="2382.0" y2="-8888.0"/> <atom id="CPD-9699-atom3" elementType="C" x2="6507.0" y2="-1743.0"/> <atom id="CPD-9699-atom4" elementType="C" x2="-1743.0" y2="-1743.0"/> <atom id="CPD-9699-atom5" elementType="C" x2="-8888.0" y2="2382.0"/> <atom id="CPD-9699-atom6" elementType="C" x2="-16033.0" y2="-1743.0"/> <atom id="CPD-9699-atom7" elementType="C" x2="-23176.0" y2="2382.0"/> <atom id="CPD-9699-atom8" elementType="O" x2="-23176.0" y2="10632.0"/> <atom id="CPD-9699-atom9" elementType="O" x2="-30320.0" y2="-1743.0" formalCharge="-1"/> <atom id="CPD-9699-atom10" elementType="N" x2="-16033.0" y2="-9993.0" formalCharge="1"/> <bond id="CPD-9699-bond1" atomRefs="CPD-9699-atom1 CPD-9699-atom2" order="2"/> <bond id="CPD-9699-bond2" atomRefs="CPD-9699-atom2 CPD-9699-atom3" order="1"/> <bond id="CPD-9699-bond3" atomRefs="CPD-9699-atom3 CPD-9699-atom4" order="1"/> <bond id="CPD-9699-bond4" atomRefs="CPD-9699-atom2 CPD-9699-atom4" order="1"/> <bond id="CPD-9699-bond5" atomRefs="CPD-9699-atom4 CPD-9699-atom5" order="1"/> <bond id="CPD-9699-bond6" atomRefs="CPD-9699-atom5 CPD-9699-atom6" order="1"/> <bond id="CPD-9699-bond7" atomRefs="CPD-9699-atom6 CPD-9699-atom7" order="1"/> <bond id="CPD-9699-bond8" atomRefs="CPD-9699-atom7 CPD-9699-atom8" order="2"/> <bond id="CPD-9699-bond9" atomRefs="CPD-9699-atom7 CPD-9699-atom9" order="1"/> <bond id="CPD-9699-bond10" atomRefs="CPD-9699-atom6 CPD-9699-atom10" order="1"/> <formula concise="H 11 N 1 O 2 C 7"/> 141.169 C=C1(C(CC([N+])C([O-])=O)C1)

CHEBI CHEBI:18135
structure data: InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H

CHEBI CHEBI:61307
structure data: InChI%3D1S%2FC15H24O%2Fc1-10%282%2913-5-6-15%289-13%2911%283%297-14%2816%298-12%2815%294%2Fh7%2C12-14%2C16H%2C1%2C5-6%2C8-9H2%2C2-4H3%2Ft12-%2C13-%2C14-%2C15-%2Fm1%2Fs1

CHEBI CHEBI:9036
structure data: InChI%3D1S%2FC19H22N2O2%2Fc1-2-10-8-21-17-7-14-13-5-11%2823%293-4-16%2813%2920-19%2814%2918%2821%296-12%2810%2915%2817%299-22%2Fh2-5%2C12%2C15%2C17-18%2C20%2C22-23H%2C6-9H2%2C1H3%2Fb10-2-%2Ft12-%2C15%2B%2C17-%2C18-%2Fm0%2Fs1

CHEBI CHEBI:2504
structure data: InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3%2Ft8-%2C17%2B%2Fm0%2Fs1

CHEBI CHEBI:28028
structure data: InChI%3D1S%2FC6H10O4%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh7H%2C1-4H2%2C%28H%2C9%2C10%29

CHEBI CHEBI:52986
structure data: InChI%3D1S%2FC26H50O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26%2827%2928%2Fh24-25H%2C2-23H2%2C1H3%2C%28H%2C27%2C28%29%2Fb25-24-

CHEBI CHEBI:19475
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-2-3-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29

biopax-level3ChemicalStructure160786
structure data: <cml> <molecule id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO" title="1,3-beta-D-galactosyl-N-acetyl-D-glucosaminyl-R" formalCharge="0" dictRef="dict13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO"> <atomArray> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom1" elementType="O" x2="5973.0" y2="-8162.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom2" elementType="O" x2="8421.0" y2="-3449.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom3" elementType="O" x2="0.0" y2="-10231.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom4" elementType="O" x2="7168.0" y2="-6093.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom5" elementType="O" x2="4837.0" y2="0.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom6" elementType="O" x2="7226.0" y2="-1379.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom7" elementType="O" x2="2448.0" y2="-1379.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom8" elementType="O" x2="0.0" y2="-6092.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom9" elementType="R" x2="4778.0" y2="-10231.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom10" elementType="C" x2="7226.0" y2="-4138.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom11" elementType="C" x2="0.0" y2="-8852.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom12" elementType="N" x2="4778.0" y2="-6092.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom13" elementType="O" x2="4778.0" y2="-8852.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom14" elementType="O" x2="4837.0" y2="-4138.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom15" elementType="O" x2="2389.0" y2="-8852.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom16" elementType="O" x2="2448.0" y2="-4138.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom17" elementType="C" x2="5973.0" y2="-6782.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO-atom18" elementType="C" x2="4837.0" y2="-1379.0"/> <atom id="13-BETA-D-GALACTOSYL-N-ACETYL-D…

CHEBI CHEBI:355715
structure data: InChI%3D1S%2FC12H15NO8%2Fc14-5-8-9%2815%2910%2816%2911%2817%2912%2821-8%2920-7-3-1-6%282-4-7%2913%2818%2919%2Fh1-4%2C8-12%2C14-17H%2C5H2%2Ft8-%2C9%2B%2C10%2B%2C11-%2C12-%2Fm1%2Fs1

CHEBI CHEBI:38980
structure data: InChI%3D1S%2FC10H8N2O%2Fc13-10%289-6-11-12-7-9%298-4-2-1-3-5-8%2Fh1-7H%2C%28H%2C11%2C12%29

CHEBI CHEBI:61671
structure data: InChI%3D1S%2FC16H28O2%2Fc17-16%2818%2914-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15%2Fh9%2C12%2C15H%2C1-8%2C10-11%2C13-14H2%2C%28H%2C17%2C18%29

CHEBI CHEBI:16811
structure data: InChI%3D1S%2FC5H11NO2S%2Fc1-9-3-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:17404
structure data: InChI%3D1S%2FC9H8O%2Fc10-9-6-5-7-3-1-2-4-8%287%299%2Fh1-4H%2C5-6H2

CHEBI CHEBI:32395
structure data: InChI%3D1S%2FC20H32O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh6-7%2C9-10%2C12-13%2C15-16H%2C2-5%2C8%2C11%2C14%2C17-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb7-6-%2C10-9-%2C13-12-%2C16-15-

CHEBI CHEBI:44556
structure data: InChI%3D1S%2FC6H13NO2%2Fc1-2-3-4-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1

biopax-level3ChemicalStructure163949
structure data: <atom id="CPD-9873-atom1" elementType="C" x2="205374.0" y2="-9152.0"/> <atom id="CPD-9873-atom2" elementType="C" x2="198182.0" y2="-5110.0"/> <atom id="CPD-9873-atom3" elementType="C" x2="212470.0" y2="-4945.0"/> <atom id="CPD-9873-atom4" elementType="C" x2="191085.0" y2="-9318.0"/> <atom id="CPD-9873-atom5" elementType="C" x2="219662.0" y2="-8988.0"/> <atom id="CPD-9873-atom6" elementType="C" x2="212375.0" y2="3304.0"/> <atom id="CPD-9873-atom7" elementType="C" x2="183893.0" y2="-5275.0"/> <atom id="CPD-9873-atom8" elementType="C" x2="191180.0" y2="-17567.0"/> <atom id="CPD-9873-atom9" elementType="O" x2="219757.0" y2="-17237.0"/> <atom id="CPD-9873-atom10" elementType="C" x2="226759.0" y2="-4781.0"/> <atom id="CPD-9873-atom11" elementType="C" x2="205183.0" y2="7346.0"/> <atom id="CPD-9873-atom12" elementType="C" x2="219472.0" y2="7511.0"/> <atom id="CPD-9873-atom13" elementType="C" x2="176797.0" y2="-9483.0"/> <atom id="CPD-9873-atom14" elementType="O" x2="233951.0" y2="-8823.0"/> <atom id="CPD-9873-atom15" elementType="C" x2="226663.0" y2="3469.0"/> <atom id="CPD-9873-atom16" elementType="O" x2="219377.0" y2="15760.0"/> <atom id="CPD-9873-atom17" elementType="C" x2="169606.0" y2="-5440.0"/> <atom id="CPD-9873-atom18" elementType="O" x2="233760.0" y2="7676.0"/> <atom id="CPD-9873-atom19" elementType="C" x2="162509.0" y2="-9647.0"/> <atom id="CPD-9873-atom20" elementType="C" x2="233665.0" y2="15926.0"/> <atom id="CPD-9873-atom21" elementType="C" x2="155317.0" y2="-5605.0"/> <atom id="CPD-9873-atom22" elementType="C" x2="162605.0" y2="-17897.0"/> <atom id="CPD-9873-atom23" elementType="C" x2="148221.0" y2="-9812.0"/> <atom id="CPD-9873-atom24" elementType="C" x2="141029.0" y2="-5770.0"/> <atom id="CPD-9873-atom25" elementType="C" x2="133932.0" y2="-9977.0"/> <atom id="CPD-9873-atom26" elementType="C" x2="126741.0" y2="-5935.0"/> <atom id="CPD-9873-atom27" elementType="C" x2="134027.0" y2="-18227.0"/> <atom id="CPD-9873-atom28" elementType="C" x2="119644.0" y2="-1014…

biopax-level3ChemicalStructure167422
structure data: <atom id="T2-DECENOYL-COA-atom1" elementType="C" x2="0.0" y2="-10204.0"/> <atom id="T2-DECENOYL-COA-atom2" elementType="C" x2="2429.0" y2="-3781.0"/> <atom id="T2-DECENOYL-COA-atom3" elementType="C" x2="2429.0" y2="-2093.0"/> <atom id="T2-DECENOYL-COA-atom4" elementType="N" x2="8088.0" y2="0.0"/> <atom id="T2-DECENOYL-COA-atom5" elementType="O" x2="5710.0" y2="-6545.0"/> <atom id="T2-DECENOYL-COA-atom6" elementType="O" x2="1890.0" y2="-4538.0"/> <atom id="T2-DECENOYL-COA-atom7" elementType="O" x2="1174.0" y2="-2093.0"/> <atom id="T2-DECENOYL-COA-atom8" elementType="O" x2="7386.0" y2="-5821.0"/> <atom id="T2-DECENOYL-COA-atom9" elementType="O" x2="4752.0" y2="-1971.0"/> <atom id="T2-DECENOYL-COA-atom10" elementType="O" x2="6306.0" y2="-1971.0"/> <atom id="T2-DECENOYL-COA-atom11" elementType="O" x2="1822.0" y2="-4160.0"/> <atom id="T2-DECENOYL-COA-atom12" elementType="O" x2="9168.0" y2="-4821.0"/> <atom id="T2-DECENOYL-COA-atom13" elementType="O" x2="8223.0" y2="-6671.0" formalCharge="-1"/> <atom id="T2-DECENOYL-COA-atom14" elementType="O" x2="9074.0" y2="-5821.0" formalCharge="-1"/> <atom id="T2-DECENOYL-COA-atom15" elementType="O" x2="4752.0" y2="-3660.0" formalCharge="-1"/> <atom id="T2-DECENOYL-COA-atom16" elementType="O" x2="6306.0" y2="-3660.0" formalCharge="-1"/> <atom id="T2-DECENOYL-COA-atom17" elementType="C" x2="3832.0" y2="-6962.0"/> <atom id="T2-DECENOYL-COA-atom18" elementType="C" x2="4653.0" y2="-6883.0"/> <atom id="T2-DECENOYL-COA-atom19" elementType="C" x2="7440.0" y2="-2012.0"/> <atom id="T2-DECENOYL-COA-atom20" elementType="C" x2="9978.0" y2="-1607.0"/> <atom id="T2-DECENOYL-COA-atom21" elementType="C" x2="342.0" y2="-9453.0"/> <atom id="T2-DECENOYL-COA-atom22" elementType="C" x2="3490.0" y2="-7713.0"/> <atom id="T2-DECENOYL-COA-atom23" elementType="C" x2="1163.0" y2="-9373.0"/> <atom id="T2-DECENOYL-COA-atom24" elementType="C" x2="2669.0" y2="-7793.0"/> <atom id="T2-DECENOYL-COA-atom25" elementType="C" x2="1505.0" y2="-8622.0"/> <atom id="T2-DECENO…

biopax-level3ChemicalStructure132183
structure data: <cml> <molecule id="CPD-8602" title="[3-methylcrotonoyl-CoA:carbon-dioxide ligase(ADP-forming)]" formalCharge="0" dictRef="dictCPD-8602"> <atomArray> <atom id="CPD-8602-atom1" elementType="N" x2="-29095.0" y2="-21803.0"/> <atom id="CPD-8602-atom2" elementType="C" x2="-21951.0" y2="-17678.0"/> <atom id="CPD-8602-atom3" elementType="C" x2="-14807.0" y2="-21803.0"/> <atom id="CPD-8602-atom4" elementType="C" x2="-7662.0" y2="-17678.0"/> <atom id="CPD-8602-atom5" elementType="C" x2="-518.0" y2="-21803.0"/> <atom id="CPD-8602-atom6" elementType="C" x2="6627.0" y2="-17678.0"/> <atom id="CPD-8602-atom7" elementType="C" x2="13772.0" y2="-21803.0"/> <atom id="CPD-8602-atom8" elementType="N" x2="20916.0" y2="-17678.0"/> <atom id="CPD-8602-atom9" elementType="R2" x2="28060.0" y2="-21803.0"/> <atom id="CPD-8602-atom10" elementType="N" x2="6627.0" y2="-9429.0"/> <atom id="CPD-8602-atom11" elementType="O" x2="13772.0" y2="-30053.0"/> <atom id="CPD-8602-atom12" elementType="C" x2="13772.0" y2="-5304.0"/> <atom id="CPD-8602-atom13" elementType="O" x2="20916.0" y2="-9429.0"/> <atom id="CPD-8602-atom14" elementType="R1" x2="13772.0" y2="2946.0"/> <atom id="CPD-8602-atom15" elementType="C" x2="-36240.0" y2="-17678.0"/> <atom id="CPD-8602-atom16" elementType="C" x2="-43385.0" y2="-21803.0"/> <atom id="CPD-8602-atom17" elementType="C" x2="-50529.0" y2="-17678.0"/> <atom id="CPD-8602-atom18" elementType="C" x2="-57674.0" y2="-21803.0"/> <atom id="CPD-8602-atom19" elementType="C" x2="-64819.0" y2="-17678.0"/> <atom id="CPD-8602-atom20" elementType="O" x2="-36240.0" y2="-9428.0"/> <atom id="CPD-8602-atom21" elementType="C" x2="-71963.0" y2="-21803.0"/> <atom id="CPD-8602-atom22" elementType="S" x2="-78638.0" y2="-16954.0"/> <atom id="CPD-8602-atom23" elementType="C" x2="-74513.0" y2="-29649.0"/> <atom id="CPD-8602-atom24" elementType="C" x2="-82763.0" y2="-29649.0"/> <atom id="CPD-8602-atom25" elementType="C" x2="-85312.0" y2="-21803.0"/> <atom id="CPD-8602-atom26" elementType="C" x2="-7863…

biopax-level3ChemicalStructure159783
structure data: <atom id="CPD-2744-atom1" elementType="C" x2="463960.0" y2="-438770.0"/> <atom id="CPD-2744-atom2" elementType="O" x2="0.0" y2="-167120.0"/> <atom id="CPD-2744-atom3" elementType="O" x2="11700.0" y2="-83590.0" formalCharge="-1"/> <atom id="CPD-2744-atom4" elementType="O" x2="237530.0" y2="-2160.0"/> <atom id="CPD-2744-atom5" elementType="O" x2="105400.0" y2="0.0"/> <atom id="CPD-2744-atom6" elementType="O" x2="266620.0" y2="-251770.0"/> <atom id="CPD-2744-atom7" elementType="C" x2="174540.0" y2="-513560.0"/> <atom id="CPD-2744-atom8" elementType="C" x2="246000.0" y2="-554810.0"/> <atom id="CPD-2744-atom9" elementType="C" x2="174540.0" y2="-431080.0"/> <atom id="CPD-2744-atom10" elementType="C" x2="317430.0" y2="-431080.0"/> <atom id="CPD-2744-atom11" elementType="C" x2="478190.0" y2="-654010.0"/> <atom id="CPD-2744-atom12" elementType="C" x2="519450.0" y2="-582580.0"/> <atom id="CPD-2744-atom13" elementType="C" x2="397510.0" y2="-636860.0"/> <atom id="CPD-2744-atom14" elementType="O" x2="80990.0" y2="-307330.0"/> <atom id="CPD-2744-atom15" elementType="C" x2="76070.0" y2="-135190.0"/> <atom id="CPD-2744-atom16" elementType="C" x2="317430.0" y2="-513560.0"/> <atom id="CPD-2744-atom17" elementType="C" x2="237060.0" y2="-96480.0"/> <atom id="CPD-2744-atom18" elementType="C" x2="104820.0" y2="-94310.0"/> <atom id="CPD-2744-atom19" elementType="C" x2="184130.0" y2="-252740.0"/> <atom id="CPD-2744-atom20" elementType="C" x2="154740.0" y2="-160000.0"/> <atom id="CPD-2744-atom21" elementType="C" x2="246000.0" y2="-307330.0"/> <atom id="CPD-2744-atom22" elementType="N" x2="464240.0" y2="-521260.0" formalCharge="1"/> <atom id="CPD-2744-atom23" elementType="N" x2="246000.0" y2="-389820.0" formalCharge="1"/> <atom id="CPD-2744-atom24" elementType="C" x2="388880.0" y2="-554810.0"/> <bond id="CPD-2744-bond1" atomRefs="CPD-2744-atom24 CPD-2744-atom22" order="1"/> <bond id="CPD-2744-bond2" atomRefs="CPD-2744-atom21 CPD-2744-atom23" order="1"/> <bond id="CPD-2744-bond3" atomRefs="CP…

CHEBI CHEBI:35420
structure data: InChI%3D1S%2FC21H32O5S%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2826-27%2823%2C24%2925%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4%2C15-19H%2C5-12H2%2C1-3H3%2C%28H%2C23%2C24%2C25%29%2Ft15-%2C16-%2C17%2B%2C18-%2C19-%2C20-%2C21%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure174505
structure data: <atom id="RIBOSE-15-BISPHOSPHATE-atom1" elementType="C" x2="28093.0" y2="15399.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom2" elementType="C" x2="30643.0" y2="7508.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom3" elementType="O" x2="23924.0" y2="2704.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom4" elementType="C" x2="17295.0" y2="7508.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom5" elementType="C" x2="19799.0" y2="15399.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom6" elementType="C" x2="9461.0" y2="4927.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom7" elementType="O" x2="38477.0" y2="4922.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom8" elementType="O" x2="14926.0" y2="22056.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom9" elementType="O" x2="32949.0" y2="22069.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom10" elementType="O" x2="7779.0" y2="-3150.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom11" elementType="P" x2="-504.0" y2="-3162.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom12" elementType="O" x2="-8753.0" y2="-3162.0" formalCharge="-1"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom13" elementType="O" x2="-498.0" y2="-11412.0" formalCharge="-1"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom14" elementType="O" x2="-543.0" y2="5087.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom15" elementType="P" x2="46701.0" y2="4904.0"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom16" elementType="O" x2="54951.0" y2="4904.0" formalCharge="-1"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom17" elementType="O" x2="46692.0" y2="-3346.0" formalCharge="-1"/> <atom id="RIBOSE-15-BISPHOSPHATE-atom18" elementType="O" x2="46685.0" y2="13153.0"/> <bond id="RIBOSE-15-BISPHOSPHATE-bond1" atomRefs="RIBOSE-15-BISPHOSPHATE-atom15 RIBOSE-15-BISPHOSPHATE-atom18" order="2"/> <bond id="RIBOSE-15-BISPHOSPHATE-bond2" atomRefs="RIBOSE-15-BISPHOSPHATE-atom15 RIBOSE-15-BISPHOSPHATE-atom17" order="1"/> <bond id="RIBOSE-15-BISPHOSPHATE-bond3" atomRefs="RIBOSE-15-BISPHOSPHATE-atom15 RIBOSE-15-BISPHOSPHATE-atom16" order="1"/> <bond id="RIBOSE-15-BISPHOSPHATE-bond4" atomRefs="…

CHEBI CHEBI:497734
structure data: InChI%3D1S%2FC5H12N2O2S%2Fc6-1-2-10-3-4%287%295%288%299%2Fh4H%2C1-3%2C6-7H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1

CHEBI CHEBI:18378
structure data: InChI%3D1S%2FC28H48O%2Fc1-18%282%298-7-9-19%283%2922-12-13-24-21-10-11-23-20%284%2926%2829%2915-17-28%2823%2C6%2925%2821%2914-16-27%2822%2C24%295%2Fh10%2C18-20%2C22-26%2C29H%2C7-9%2C11-17H2%2C1-6H3%2Ft19-%2C20%2B%2C22-%2C23%2B%2C24%2B%2C25%2B%2C26%2B%2C27-%2C28%2B%2Fm1%2Fs1

CHEBI CHEBI:52615
structure data: InChI%3D1S%2FC28H44O2%2Fc1-18%282%297-6-8-19%283%2922-11-12-23-20-9-10-24-21%2817-29%2926%2830%2914-16-28%2824%2C5%2925%2820%2913-15-27%2822%2C23%294%2Fh7%2C17%2C19%2C21-24%2C26%2C30H%2C6%2C8-16H2%2C1-5H3%2Ft19-%2C21%3F%2C22-%2C23%2B%2C24%2B%2C26%2B%2C27-%2C28%2B%2Fm1%2Fs1

CHEBI CHEBI:5583
structure data: InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3

CHEBI CHEBI:17667
structure data: InChI%3D1S%2FC5H8O4%2Fc1-5%282%2C9%293%286%294%287%298%2Fh9H%2C1-2H3%2C%28H%2C7%2C8%29

biopax-level3ChemicalStructure149885
structure data: <cml> <molecule id="Acylcholines" title="an acylcholine" formalCharge="1" dictRef="dictAcylcholines"> <atomArray> <atom id="Acylcholines-atom1" elementType="C" x2="7275.0" y2="-1400.0"/> <atom id="Acylcholines-atom2" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="Acylcholines-atom3" elementType="C" x2="7275.0" y2="0.0"/> <atom id="Acylcholines-atom4" elementType="O" x2="1212.0" y2="-2100.0"/> <atom id="Acylcholines-atom5" elementType="R" x2="0.0" y2="0.0"/> <atom id="Acylcholines-atom6" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="Acylcholines-atom7" elementType="C" x2="4850.0" y2="0.0"/> <atom id="Acylcholines-atom8" elementType="O" x2="2425.0" y2="0.0"/> <atom id="Acylcholines-atom9" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="Acylcholines-atom10" elementType="N" x2="6062.0" y2="-700.0" formalCharge="1"/> </atomArray> <bondArray> <bond id="Acylcholines-bond1" atomRefs="Acylcholines-atom8 Acylcholines-atom9" order="1"/> <bond id="Acylcholines-bond2" atomRefs="Acylcholines-atom7 Acylcholines-atom10" order="1"/> <bond id="Acylcholines-bond3" atomRefs="Acylcholines-atom6 Acylcholines-atom8" order="1"/> <bond id="Acylcholines-bond4" atomRefs="Acylcholines-atom6 Acylcholines-atom7" order="1"/> <bond id="Acylcholines-bond5" atomRefs="Acylcholines-atom5 Acylcholines-atom9" order="1"/> <bond id="Acylcholines-bond6" atomRefs="Acylcholines-atom4 Acylcholines-atom9" order="2"/> <bond id="Acylcholines-bond7" atomRefs="Acylcholines-atom3 Acylcholines-atom10" order="1"/> <bond id="Acylcholines-bond8" atomRefs="Acylcholines-atom2 Acylcholines-atom10" order="1"/> <bond id="Acylcholines-bond9" atomRefs="Acylcholines-atom1 Acylcholines-atom10" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(C[N+](C)(C)C)OC(=O)[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure173973
structure data: <atom id="CPD3DJ-11366-atom1" elementType="C" x2="-45684.0" y2="-25086.0"/> <atom id="CPD3DJ-11366-atom2" elementType="C" x2="39585.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom3" elementType="C" x2="18182.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom4" elementType="C" x2="-45684.0" y2="-33371.0"/> <atom id="CPD3DJ-11366-atom5" elementType="C" x2="32451.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom6" elementType="C" x2="11162.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom7" elementType="C" x2="-38549.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom8" elementType="C" x2="-10126.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom9" elementType="C" x2="25316.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom10" elementType="C" x2="4028.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom11" elementType="C" x2="-45684.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom12" elementType="C" x2="-17261.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom13" elementType="C" x2="-3107.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom14" elementType="C" x2="-45684.0" y2="-41541.0"/> <atom id="CPD3DJ-11366-atom15" elementType="C" x2="-24395.0" y2="-53854.0"/> <atom id="CPD3DJ-11366-atom16" elementType="N" x2="-37514.0" y2="-33371.0" formalCharge="1"/> <atom id="CPD3DJ-11366-atom17" elementType="O" x2="-30379.0" y2="-29228.0"/> <atom id="CPD3DJ-11366-atom18" elementType="C" x2="-31415.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom19" elementType="P" x2="-30379.0" y2="-20943.0"/> <atom id="CPD3DJ-11366-atom20" elementType="O" x2="-30379.0" y2="-12773.0" formalCharge="-1"/> <atom id="CPD3DJ-11366-atom21" elementType="O" x2="-38549.0" y2="-21058.0"/> <atom id="CPD3DJ-11366-atom22" elementType="C" x2="53739.0" y2="-49711.0"/> <atom id="CPD3DJ-11366-atom23" elementType="O" x2="-22209.0" y2="-20943.0" formalCharge="-1"/> <atom id="CPD3DJ-11366-atom24" elementType="O" x2="-53854.0" y2="-41541.0"/> <atom id="CPD3DJ-11366-atom25" elementType="C" x2="46604.0" y2="-53854.0"/> <bond id="CPD3DJ-11366-bond1" atomRefs="C…

CHEBI CHEBI:34811
structure data: InChI%3D1S%2FC19H36O2%2Fc1-2-3-4-10-13-17-16-18%2817%2914-11-8-6-5-7-9-12-15-19%2820%2921%2Fh17-18H%2C2-16H2%2C1H3%2C%28H%2C20%2C21%29%2Ft17-%2C18%2B%2Fm0%2Fs1

CHEBI CHEBI:32423
structure data: InChI%3D1S%2FC20H38O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh11-12H%2C2-10%2C13-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb12-11%2B

CHEBI CHEBI:64247
structure data: InChI%3D1S%2FC10H18O3%2Fc1-7%282%299%286-10%2812%2913%295-4-8%283%2911%2Fh8-9%2C11H%2C1%2C4-6H2%2C2-3H3%2C%28H%2C12%2C13%29%2Ft8-%2C9-%2Fm1%2Fs1

CHEBI CHEBI:17869
structure data: InChI%3D1S%2FC6H12O3%2Fc7-5-3-1-2-4-6%288%299%2Fh7H%2C1-5H2%2C%28H%2C8%2C9%29

CHEBI CHEBI:59706
structure data: InChI%3D1S%2FC19H29NO%2Fc21-19%2818-11-5-6-12-18%2C17-9-3-1-4-10-17%2913-16-20-14-7-2-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2%2Ft19-%2Fm0%2Fs1

CHEBI CHEBI:63866
structure data: InChI%3D1S%2FC18H39N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19%2Fh2-19H2%2C1H3

biopax-level3ChemicalStructure131658
structure data: <atom id="3-METHYL-CROTONYL-COA-atom1" elementType="C" x2="41391.0" y2="-12463.0"/> <atom id="3-METHYL-CROTONYL-COA-atom2" elementType="N" x2="-46469.0" y2="-8309.0"/> <atom id="3-METHYL-CROTONYL-COA-atom3" elementType="C" x2="38314.0" y2="-18157.0"/> <atom id="3-METHYL-CROTONYL-COA-atom4" elementType="C" x2="-16464.0" y2="-28466.0"/> <atom id="3-METHYL-CROTONYL-COA-atom5" elementType="N" x2="28466.0" y2="770.0"/> <atom id="3-METHYL-CROTONYL-COA-atom6" elementType="O" x2="-40160.0" y2="3693.0"/> <atom id="3-METHYL-CROTONYL-COA-atom7" elementType="O" x2="33852.0" y2="-46469.0" formalCharge="-1"/> <atom id="3-METHYL-CROTONYL-COA-atom8" elementType="C" x2="-40160.0" y2="-4616.0"/> <atom id="3-METHYL-CROTONYL-COA-atom9" elementType="O" x2="38314.0" y2="-23081.0"/> <atom id="3-METHYL-CROTONYL-COA-atom10" elementType="C" x2="46315.0" y2="8463.0"/> <atom id="3-METHYL-CROTONYL-COA-atom11" elementType="O" x2="25543.0" y2="-38160.0"/> <atom id="3-METHYL-CROTONYL-COA-atom12" elementType="N" x2="21234.0" y2="12002.0"/> <atom id="3-METHYL-CROTONYL-COA-atom13" elementType="C" x2="-46469.0" y2="-29235.0"/> <atom id="3-METHYL-CROTONYL-COA-atom14" elementType="O" x2="33544.0" y2="-8155.0"/> <atom id="3-METHYL-CROTONYL-COA-atom15" elementType="C" x2="16772.0" y2="-32621.0"/> <atom id="3-METHYL-CROTONYL-COA-atom16" elementType="N" x2="-24465.0" y2="-32928.0"/> <atom id="3-METHYL-CROTONYL-COA-atom17" elementType="O" x2="18157.0" y2="-3385.0"/> <atom id="3-METHYL-CROTONYL-COA-atom18" elementType="C" x2="-33236.0" y2="-28620.0"/> <atom id="3-METHYL-CROTONYL-COA-atom19" elementType="O" x2="-33236.0" y2="-20311.0"/> <atom id="3-METHYL-CROTONYL-COA-atom20" elementType="O" x2="-5078.0" y2="4924.0"/> <atom id="3-METHYL-CROTONYL-COA-atom21" elementType="O" x2="10155.0" y2="4924.0"/> <atom id="3-METHYL-CROTONYL-COA-atom22" elementType="C" x2="10617.0" y2="-28466.0"/> <atom id="3-METHYL-CROTONYL-COA-atom23" elementType="C" x2="27697.0" y2="16003.0"/> <atom id="3-METHYL-CROTONYL-COA-atom24" eleme…

CHEBI CHEBI:63656
structure data: InChI%3D1S%2FC20H32O%2Fc1-5-18%282%2912-9-16-15%2813-18%297-8-17-19%283%2C14-21%2910-6-11-20%2816%2C17%294%2Fh5%2C7%2C16-17%2C21H%2C1%2C6%2C8-14H2%2C2-4H3%2Ft16-%2C17%2B%2C18-%2C19-%2C20-%2Fm1%2Fs1

CHEBI CHEBI:47767
structure data: InChI%3D1S%2FC41H82NO8P%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40%2843%2947-37-39%2838-49-51%2845%2C46%2948-36-35-42%2950-41%2844%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh39H%2C3-38%2C42H2%2C1-2H3%2C%28H%2C45%2C46%29%2Ft39-%2Fm0%2Fs1

CHEBI CHEBI:3134
structure data: InChI%3D1S%2FC28H31NO5.CH4O3S%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%3B1-5%282%2C3%294%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3%3B1H3%2C%28H%2C2%2C3%2C4%29

biopax-level3ChemicalStructure159019
structure data: <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom1" elementType="C" x2="7000.0" y2="-1449.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom2" elementType="O" x2="5539.0" y2="-1355.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom3" elementType="O" x2="0.0" y2="-1838.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom4" elementType="O" x2="2652.0" y2="-3629.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom5" elementType="O" x2="6164.0" y2="-4254.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom6" elementType="O" x2="530.0" y2="-824.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom7" elementType="O" x2="1956.0" y2="0.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom8" elementType="O" x2="3382.0" y2="-824.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom9" elementType="O" x2="4738.0" y2="-1720.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom10" elementType="C" x2="530.0" y2="-2474.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom11" elementType="C" x2="3312.0" y2="-4124.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom12" elementType="N" x2="6164.0" y2="-2604.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom13" elementType="O" x2="4738.0" y2="-4184.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom14" elementType="O" x2="1956.0" y2="-2474.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom15" elementType="O" x2="3382.0" y2="-2474.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom16" elementType="C" x2="6164.0" y2="-1779.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom17" elementType="C" x2="5468.0" y2="-3807.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom18" elementType="C" x2="1250.0" y2="-2062.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom19" elementType="C" x2="4042.0" y2="-3748.0"/> <atom id="BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE-atom20" elementType="C" x2="1250.0" y2="-1237.0"/> <atom id="BETA-D-GAL…

biopax-level3ChemicalStructure169462
structure data: <atom id="CPD-8608-atom1" elementType="C" x2="8883.0" y2="-3417.0"/> <atom id="CPD-8608-atom2" elementType="C" x2="7821.0" y2="-2461.0"/> <atom id="CPD-8608-atom3" elementType="C" x2="4806.0" y2="-4742.0"/> <atom id="CPD-8608-atom4" elementType="C" x2="845.0" y2="0.0"/> <atom id="CPD-8608-atom5" elementType="C" x2="2012.0" y2="0.0"/> <atom id="CPD-8608-atom6" elementType="C" x2="2143.0" y2="-2645.0"/> <atom id="CPD-8608-atom7" elementType="C" x2="4404.0" y2="-3910.0"/> <atom id="CPD-8608-atom8" elementType="O" x2="5134.0" y2="-1059.0"/> <atom id="CPD-8608-atom9" elementType="O" x2="0.0" y2="-583.0"/> <atom id="CPD-8608-atom10" elementType="C" x2="4404.0" y2="-1444.0"/> <atom id="CPD-8608-atom11" elementType="C" x2="7524.0" y2="-3859.0"/> <atom id="CPD-8608-atom12" elementType="C" x2="6717.0" y2="-3687.0"/> <atom id="CPD-8608-atom13" elementType="C" x2="3572.0" y2="-996.0"/> <atom id="CPD-8608-atom14" elementType="C" x2="2889.0" y2="-3089.0"/> <atom id="CPD-8608-atom15" elementType="C" x2="6165.0" y2="-4300.0"/> <atom id="CPD-8608-atom16" elementType="C" x2="2858.0" y2="-583.0"/> <atom id="CPD-8608-atom17" elementType="C" x2="714.0" y2="-1821.0"/> <atom id="CPD-8608-atom18" elementType="C" x2="5588.0" y2="-2677.0"/> <atom id="CPD-8608-atom19" elementType="C" x2="3603.0" y2="-3502.0"/> <atom id="CPD-8608-atom20" elementType="C" x2="1428.0" y2="-2233.0"/> <atom id="CPD-8608-atom21" elementType="C" x2="5102.0" y2="-2010.0"/> <atom id="CPD-8608-atom22" elementType="C" x2="8076.0" y2="-3246.0"/> <atom id="CPD-8608-atom23" elementType="C" x2="2889.0" y2="-2264.0"/> <atom id="CPD-8608-atom24" elementType="C" x2="3603.0" y2="-1852.0"/> <atom id="CPD-8608-atom25" elementType="C" x2="5358.0" y2="-4129.0"/> <atom id="CPD-8608-atom26" elementType="C" x2="714.0" y2="-996.0"/> <atom id="CPD-8608-atom27" elementType="C" x2="5102.0" y2="-3344.0"/> <atom id="CPD-8608-atom28" elementType="C" x2="2143.0" y2="-996.0"/> <atom id="CPD-8608-atom29" elementType="C" x2="1428.0" y2="-583.0"/>…

biopax-level3ChemicalStructure147457
structure data: <atom id="CPD-534-atom1" elementType="C" x2="-1250.0" y2="-20125.0"/> <atom id="CPD-534-atom2" elementType="C" x2="-8395.0" y2="-16000.0"/> <atom id="CPD-534-atom3" elementType="C" x2="-8395.0" y2="-7750.0"/> <atom id="CPD-534-atom4" elementType="O" x2="-15539.0" y2="-3625.0"/> <atom id="CPD-534-atom5" elementType="C" x2="5895.0" y2="-7750.0"/> <atom id="CPD-534-atom6" elementType="C" x2="-1250.0" y2="-3625.0"/> <atom id="CPD-534-atom7" elementType="C" x2="5895.0" y2="-16000.0"/> <atom id="CPD-534-atom8" elementType="O" x2="-15539.0" y2="-20125.0"/> <atom id="CPD-534-atom9" elementType="O" x2="-1250.0" y2="4625.0"/> <atom id="CPD-534-atom10" elementType="O" x2="13039.0" y2="-3625.0"/> <atom id="CPD-534-atom11" elementType="O" x2="13039.0" y2="-20125.0"/> <atom id="CPD-534-atom12" elementType="O" x2="-1250.0" y2="-28375.0"/> <atom id="CPD-534-atom13" elementType="O" x2="5895.0" y2="-40750.0"/> <atom id="CPD-534-atom14" elementType="O" x2="5895.0" y2="-24250.0" formalCharge="-1"/> <atom id="CPD-534-atom15" elementType="P" x2="5895.0" y2="-32500.0"/> <atom id="CPD-534-atom16" elementType="O" x2="14145.0" y2="-32500.0" formalCharge="-1"/> <atom id="CPD-534-atom17" elementType="O" x2="21289.0" y2="-28375.0"/> <atom id="CPD-534-atom18" elementType="O" x2="29539.0" y2="-20125.0" formalCharge="-1"/> <atom id="CPD-534-atom19" elementType="P" x2="21289.0" y2="-20125.0"/> <atom id="CPD-534-atom20" elementType="O" x2="21289.0" y2="-11875.0" formalCharge="-1"/> <atom id="CPD-534-atom21" elementType="O" x2="-15539.0" y2="-36625.0" formalCharge="-1"/> <atom id="CPD-534-atom22" elementType="O" x2="-23789.0" y2="-28375.0" formalCharge="-1"/> <atom id="CPD-534-atom23" elementType="P" x2="-15539.0" y2="-28375.0"/> <atom id="CPD-534-atom24" elementType="O" x2="-7289.0" y2="-28375.0"/> <atom id="CPD-534-atom25" elementType="O" x2="-16645.0" y2="8750.0" formalCharge="-1"/> <atom id="CPD-534-atom26" elementType="O" x2="-8395.0" y2="500.0"/> <atom id="CPD-534-atom27" elementType="P" x2="-8…

CHEBI CHEBI:28061
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure163096
structure data: <cml> <molecule id="Long-Chain-Esters" title="a long-chain ester" formalCharge="0" dictRef="dictLong-Chain-Esters"> <atomArray> <atom id="Long-Chain-Esters-atom1" elementType="R" x2="-31234.0" y2="2652.0"/> <atom id="Long-Chain-Esters-atom2" elementType="C" x2="-25268.0" y2="-1473.0"/> <atom id="Long-Chain-Esters-atom3" elementType="O" x2="-18122.0" y2="2652.0"/> <atom id="Long-Chain-Esters-atom4" elementType="C" x2="-10978.0" y2="-1473.0"/> <atom id="Long-Chain-Esters-atom5" elementType="R" x2="-3832.0" y2="2652.0"/> <atom id="Long-Chain-Esters-atom6" elementType="O" x2="-10978.0" y2="-9724.0"/> </atomArray> <bondArray> <bond id="Long-Chain-Esters-bond1" atomRefs="Long-Chain-Esters-atom1 Long-Chain-Esters-atom2" order="1"/> <bond id="Long-Chain-Esters-bond2" atomRefs="Long-Chain-Esters-atom2 Long-Chain-Esters-atom3" order="1"/> <bond id="Long-Chain-Esters-bond3" atomRefs="Long-Chain-Esters-atom3 Long-Chain-Esters-atom4" order="1"/> <bond id="Long-Chain-Esters-bond4" atomRefs="Long-Chain-Esters-atom4 Long-Chain-Esters-atom5" order="1"/> <bond id="Long-Chain-Esters-bond5" atomRefs="Long-Chain-Esters-atom4 Long-Chain-Esters-atom6" order="2"/> </bondArray> <formula concise=""/> <string title="smiles">C(OC(=O)[R])[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure160156
structure data: <atom id="CPD-5165-atom1" elementType="C" x2="287060.0" y2="90000.0"/> <atom id="CPD-5165-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5165-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5165-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5165-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5165-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5165-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5165-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5165-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5165-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5165-atom11" elementType="C" x2="-70160.0" y2="-363740.0"/> <atom id="CPD-5165-atom12" elementType="C" x2="-70160.0" y2="-281240.0"/> <atom id="CPD-5165-atom13" elementType="C" x2="1280.0" y2="-404990.0"/> <atom id="CPD-5165-atom14" elementType="C" x2="-141610.0" y2="-404990.0"/> <atom id="CPD-5165-atom15" elementType="C" x2="-427390.0" y2="-734990.0"/> <atom id="CPD-5165-atom16" elementType="C" x2="-355940.0" y2="-776230.0"/> <atom id="CPD-5165-atom17" elementType="C" x2="-498840.0" y2="-776230.0"/> <atom id="CPD-5165-atom18" elementType="C" x2="-427390.0" y2="-652490.0"/> <atom id="CPD-5165-atom19" elementType="C" x2="-213060.0" y2="-528740.0"/> <atom id="CPD-5165-atom20" elementType="C" x2="-141610.0" y2="-487490.0"/> <atom id="CPD-5165-atom21" elementType="C" x2="-213060.0" y2="-611240.0"/> <atom id="CPD-5165-atom22" elementType="C" x2="-141610.0" y2="-652490.0"/> <atom id="CPD-5165-atom23" elementType="C" x2="-284490.0" y2="-652490.0"/> <atom id="CPD-5165-atom24" elementType="C" x2="-355940.0" y2="-611240.0"/> <atom id="CPD-5165-atom25" elementType="C" x2="-641730.0" y2="-776230.0"/> <atom id="CPD-5165-atom26" elementType="C" x2="-570280.0" y2="-734990.0"/> <atom id="CPD-5165-atom27" elementType="C" x2="-641730.0" y2="-858730.0"/> <atom id="CPD-5…

biopax-level3ChemicalStructure169395
structure data: <atom id="CPD-8618-atom1" elementType="C" x2="8882.0" y2="-4061.0"/> <atom id="CPD-8618-atom2" elementType="C" x2="7820.0" y2="-3105.0"/> <atom id="CPD-8618-atom3" elementType="C" x2="4806.0" y2="-5386.0"/> <atom id="CPD-8618-atom4" elementType="C" x2="2143.0" y2="-3290.0"/> <atom id="CPD-8618-atom5" elementType="C" x2="4403.0" y2="-4554.0"/> <atom id="CPD-8618-atom6" elementType="O" x2="2174.0" y2="0.0"/> <atom id="CPD-8618-atom7" elementType="O" x2="0.0" y2="-1228.0"/> <atom id="CPD-8618-atom8" elementType="C" x2="1450.0" y2="-394.0"/> <atom id="CPD-8618-atom9" elementType="C" x2="7523.0" y2="-4503.0"/> <atom id="CPD-8618-atom10" elementType="C" x2="6716.0" y2="-4331.0"/> <atom id="CPD-8618-atom11" elementType="C" x2="3572.0" y2="-1640.0"/> <atom id="CPD-8618-atom12" elementType="C" x2="2889.0" y2="-3733.0"/> <atom id="CPD-8618-atom13" elementType="C" x2="6164.0" y2="-4944.0"/> <atom id="CPD-8618-atom14" elementType="C" x2="2857.0" y2="-1228.0"/> <atom id="CPD-8618-atom15" elementType="C" x2="714.0" y2="-2465.0"/> <atom id="CPD-8618-atom16" elementType="C" x2="5102.0" y2="-2654.0"/> <atom id="CPD-8618-atom17" elementType="C" x2="5587.0" y2="-3321.0"/> <atom id="CPD-8618-atom18" elementType="C" x2="3603.0" y2="-4146.0"/> <atom id="CPD-8618-atom19" elementType="C" x2="1428.0" y2="-2878.0"/> <atom id="CPD-8618-atom20" elementType="C" x2="8075.0" y2="-3890.0"/> <atom id="CPD-8618-atom21" elementType="C" x2="3603.0" y2="-2496.0"/> <atom id="CPD-8618-atom22" elementType="C" x2="2889.0" y2="-2909.0"/> <atom id="CPD-8618-atom23" elementType="C" x2="5358.0" y2="-4774.0"/> <atom id="CPD-8618-atom24" elementType="C" x2="714.0" y2="-1640.0"/> <atom id="CPD-8618-atom25" elementType="C" x2="1428.0" y2="-1228.0"/> <atom id="CPD-8618-atom26" elementType="C" x2="4317.0" y2="-2909.0"/> <atom id="CPD-8618-atom27" elementType="C" x2="5102.0" y2="-3988.0"/> <atom id="CPD-8618-atom28" elementType="C" x2="2143.0" y2="-1640.0"/> <atom id="CPD-8618-atom29" elementType="C" x2="2143.0" y2="…

CHEBI CHEBI:39455
structure data: InChI%3D1S%2FC22H38O5%2Fc1-2-3-4-5-8-11-17%2823%2914-15-19-18%2820%2824%2916-21%2819%2925%2912-9-6-7-10-13-22%2826%2927%2Fh6%2C9%2C18-21%2C24-25H%2C2-5%2C7-8%2C10-16H2%2C1H3%2C%28H%2C26%2C27%29%2Fb9-6-%2Ft18-%2C19-%2C20%2B%2C21-%2Fm1%2Fs1

CHEBI CHEBI:34718
structure data: InChI%3D1S%2FC6H3ClN2O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H

biopax-level3ChemicalStructure173864
structure data: <atom id="CPD-3191-atom1" elementType="C" x2="5716.0" y2="-1238.0"/> <atom id="CPD-3191-atom2" elementType="O" x2="4287.0" y2="-412.0"/> <atom id="CPD-3191-atom3" elementType="O" x2="2143.0" y2="-2475.0"/> <atom id="CPD-3191-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-3191-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-3191-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-3191-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-3191-atom8" elementType="C" x2="3572.0" y2="-1650.0"/> <atom id="CPD-3191-atom9" elementType="C" x2="2858.0" y2="-1238.0"/> <atom id="CPD-3191-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-3191-atom11" elementType="N" x2="5001.0" y2="-1650.0"/> <atom id="CPD-3191-atom12" elementType="C" x2="4287.0" y2="-1238.0"/> <atom id="CPD-3191-atom13" elementType="C" x2="2143.0" y2="-1650.0"/> <atom id="CPD-3191-atom14" elementType="C" x2="1429.0" y2="-1238.0"/> <bond id="CPD-3191-bond1" atomRefs="CPD-3191-atom13 CPD-3191-atom14" order="1"/> <bond id="CPD-3191-bond2" atomRefs="CPD-3191-atom11 CPD-3191-atom12" order="1"/> <bond id="CPD-3191-bond3" atomRefs="CPD-3191-atom9 CPD-3191-atom13" order="1"/> <bond id="CPD-3191-bond4" atomRefs="CPD-3191-atom8 CPD-3191-atom12" order="1"/> <bond id="CPD-3191-bond5" atomRefs="CPD-3191-atom8 CPD-3191-atom9" order="1"/> <bond id="CPD-3191-bond6" atomRefs="CPD-3191-atom14 CPD-3191-atom7" order="2"/> <bond id="CPD-3191-bond7" atomRefs="CPD-3191-atom7 CPD-3191-atom10" order="1"/> <bond id="CPD-3191-bond8" atomRefs="CPD-3191-atom6 CPD-3191-atom14" order="1"/> <bond id="CPD-3191-bond9" atomRefs="CPD-3191-atom10 CPD-3191-atom5" order="2"/> <bond id="CPD-3191-bond10" atomRefs="CPD-3191-atom4 CPD-3191-atom6" order="2"/> <bond id="CPD-3191-bond11" atomRefs="CPD-3191-atom5 CPD-3191-atom4" order="1"/> <bond id="CPD-3191-bond12" atomRefs="CPD-3191-atom3 CPD-3191-atom13" order="2"/> <bond id="CPD-3191-bond13" atomRefs="CPD-3191-atom2 CPD-3191-atom12" order="2"/> <…

biopax-level3ChemicalStructure168810
structure data: <cml> <molecule id="CPD-8528" title="peptidyl 2-hydroxyglycine" formalCharge="0" dictRef="dictCPD-8528"> <atomArray> <atom id="CPD-8528-atom1" elementType="C" x2="-15000.0" y2="-4062.0"/> <atom id="CPD-8528-atom2" elementType="C" x2="-711.0" y2="-4062.0"/> <atom id="CPD-8528-atom3" elementType="C" x2="-22145.0" y2="-8187.0"/> <atom id="CPD-8528-atom4" elementType="O" x2="-15000.0" y2="4188.0"/> <atom id="CPD-8528-atom5" elementType="O" x2="-22145.0" y2="-16437.0"/> <atom id="CPD-8528-atom6" elementType="H" x2="-29289.0" y2="4188.0"/> <atom id="CPD-8528-atom7" elementType="H" x2="-7855.0" y2="-16437.0"/> <atom id="CPD-8528-atom8" elementType="R1" x2="-36434.0" y2="-8187.0"/> <atom id="CPD-8528-atom9" elementType="R2" x2="6434.0" y2="-8187.0"/> <atom id="CPD-8528-atom10" elementType="N" x2="-29289.0" y2="-4062.0"/> <atom id="CPD-8528-atom11" elementType="N" x2="-7855.0" y2="-8187.0"/> <atom id="CPD-8528-atom12" elementType="O" x2="-711.0" y2="4188.0"/> </atomArray> <bondArray> <bond id="CPD-8528-bond1" atomRefs="CPD-8528-atom10 CPD-8528-atom6" order="1"/> <bond id="CPD-8528-bond2" atomRefs="CPD-8528-atom10 CPD-8528-atom8" order="1"/> <bond id="CPD-8528-bond3" atomRefs="CPD-8528-atom5 CPD-8528-atom3" order="2"/> <bond id="CPD-8528-bond4" atomRefs="CPD-8528-atom3 CPD-8528-atom10" order="1"/> <bond id="CPD-8528-bond5" atomRefs="CPD-8528-atom2 CPD-8528-atom9" order="1"/> <bond id="CPD-8528-bond6" atomRefs="CPD-8528-atom2 CPD-8528-atom12" order="2"/> <bond id="CPD-8528-bond7" atomRefs="CPD-8528-atom11 CPD-8528-atom2" order="1"/> <bond id="CPD-8528-bond8" atomRefs="CPD-8528-atom11 CPD-8528-atom7" order="1"/> <bond id="CPD-8528-bond9" atomRefs="CPD-8528-atom1 CPD-8528-atom3" order="1"/> <bond id="CPD-8528-bond10" atomRefs="CPD-8528-atom1 CPD-8528-atom11" order="1"/> <bond id="CPD-8528-bond11" atomRefs="CPD-8528-atom1 CPD-8528-atom4" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(O)([NH]C(=O)[R2])C([NH][R1])=O</string> </molecule> </cml>

CHEBI CHEBI:46961
structure data: InChI%3D1S%2FC18H39NO3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-17%2821%2918%2822%2916%2819%2915-20%2Fh16-18%2C20-22H%2C2-15%2C19H2%2C1H3%2Ft16-%2C17%2B%2C18-%2Fm0%2Fs1

biopax-level3ChemicalStructure134071
structure data: <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom1" elementType="C" x2="8851.0" y2="-2803.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom2" elementType="C" x2="7789.0" y2="-1847.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom3" elementType="C" x2="2143.0" y2="-2062.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom4" elementType="C" x2="4287.0" y2="-3300.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom5" elementType="O" x2="0.0" y2="0.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom6" elementType="C" x2="7492.0" y2="-3245.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom7" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom8" elementType="C" x2="6685.0" y2="-3073.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom9" elementType="C" x2="2858.0" y2="0.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom10" elementType="C" x2="6133.0" y2="-3686.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom11" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom12" elementType="C" x2="5071.0" y2="-1395.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom13" elementType="C" x2="5556.0" y2="-2062.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom14" elementType="C" x2="2858.0" y2="-2475.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom15" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom16" elementType="C" x2="3572.0" y2="-2888.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom17" elementType="C" x2="1429.0" y2="0.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom18" elementType="C" x2="8044.0" y2="-2632.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom19" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom20" elementType="C" x2="714.0" y2="-412.0"/> <atom id="5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL-atom21" elementType="C" x2="5327.0" y2="-3…

CHEBI CHEBI:31009
structure data: InChI%3D1S%2FC26H52O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26%2827%2928%2Fh2-25H2%2C1H3%2C%28H%2C27%2C28%29

CHEBI CHEBI:52350
structure data: InChI%3D1S%2FC20H38O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19%2821%2918-20%2822%2923%2Fh2-18H2%2C1H3%2C%28H%2C22%2C23%29

biopax-level3ChemicalStructure138309
structure data: <cml> <molecule id="L-1-PHOSPHATIDYL-ETHANOLAMINE" title="an L-1-phosphatidyl-ethanolamine" formalCharge="0" dictRef="dictL-1-PHOSPHATIDYL-ETHANOLAMINE"> <atomArray> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom1" elementType="O" x2="1900.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom2" elementType="O" x2="10674.0" y2="-37874.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom3" elementType="C" x2="-19812.0" y2="-25531.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom4" elementType="P" x2="10674.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom5" elementType="C" x2="27627.0" y2="-33859.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom6" elementType="C" x2="34616.0" y2="-29694.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom7" elementType="C" x2="-18028.0" y2="-41145.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom8" elementType="O" x2="-12674.0" y2="-36982.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom9" elementType="O" x2="-27248.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom10" elementType="O" x2="10674.0" y2="-21218.0" formalCharge="-1"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom11" elementType="O" x2="18406.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom12" elementType="R1" x2="-41673.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom13" elementType="C" x2="-34386.0" y2="-25531.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom14" elementType="O" x2="-34386.0" y2="-17203.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom15" elementType="O" x2="-26356.0" y2="-41145.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom16" elementType="C" x2="-12674.0" y2="-29546.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom17" elementType="R2" x2="-11187.0" y2="-45756.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom18" elementType="C" x2="-5388.0" y2="-25531.0"/> <atom id="L-1-PHOSPHATIDYL-ETHANOLAMINE-atom19" elementType="N" x2="34616.0" y2="-21367.0" formalCharge="1"/> </atomArray> <bondArray> <bond…

CHEBI CHEBI:32414
structure data: InChI%3D1S%2FC18H28O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh3-10H%2C2%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb4-3-%2C6-5%2B%2C8-7%2B%2C10-9-

CHEBI CHEBI:16134
structure data: InChI%3D1S%2FH3N%2Fh1H3

CHEBI CHEBI:37623
structure data: InChI%3D1S%2FC27H46O3%2Fc1-17%287-6-12-25%282%2C3%2930%2920-8-9-21-24-22%2811-14-27%2820%2C21%295%2926%284%2913-10-19%2828%2915-18%2826%2916-23%2824%2929%2Fh16-17%2C19-24%2C28-30H%2C6-15H2%2C1-5H3%2Ft17-%2C19%2B%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2Fm1%2Fs1

biopax-level3ChemicalStructure143860
structure data: <atom id="P-NITROPHENOL-atom1" elementType="O" x2="2450.0" y2="0.0"/> <atom id="P-NITROPHENOL-atom2" elementType="O" x2="140750.0" y2="-4540.0"/> <atom id="P-NITROPHENOL-atom3" elementType="O" x2="70530.0" y2="-374570.0" formalCharge="-1"/> <atom id="P-NITROPHENOL-atom4" elementType="C" x2="142420.0" y2="-252000.0"/> <atom id="P-NITROPHENOL-atom5" elementType="C" x2="0.0" y2="-252000.0"/> <atom id="P-NITROPHENOL-atom6" elementType="C" x2="142420.0" y2="-169400.0"/> <atom id="P-NITROPHENOL-atom7" elementType="C" x2="0.0" y2="-169400.0"/> <atom id="P-NITROPHENOL-atom8" elementType="C" x2="70760.0" y2="-292880.0"/> <atom id="P-NITROPHENOL-atom9" elementType="C" x2="70760.0" y2="-127640.0"/> <atom id="P-NITROPHENOL-atom10" elementType="N" x2="70530.0" y2="-45930.0"/> <bond id="P-NITROPHENOL-bond1" atomRefs="P-NITROPHENOL-atom9 P-NITROPHENOL-atom10" order="1"/> <bond id="P-NITROPHENOL-bond2" atomRefs="P-NITROPHENOL-atom9 P-NITROPHENOL-atom7" order="1"/> <bond id="P-NITROPHENOL-bond3" atomRefs="P-NITROPHENOL-atom6 P-NITROPHENOL-atom9" order="2"/> <bond id="P-NITROPHENOL-bond4" atomRefs="P-NITROPHENOL-atom5 P-NITROPHENOL-atom8" order="1"/> <bond id="P-NITROPHENOL-bond5" atomRefs="P-NITROPHENOL-atom7 P-NITROPHENOL-atom5" order="2"/> <bond id="P-NITROPHENOL-bond6" atomRefs="P-NITROPHENOL-atom8 P-NITROPHENOL-atom4" order="2"/> <bond id="P-NITROPHENOL-bond7" atomRefs="P-NITROPHENOL-atom4 P-NITROPHENOL-atom6" order="1"/> <bond id="P-NITROPHENOL-bond8" atomRefs="P-NITROPHENOL-atom3 P-NITROPHENOL-atom8" order="1"/> <bond id="P-NITROPHENOL-bond9" atomRefs="P-NITROPHENOL-atom2 P-NITROPHENOL-atom10" order="2"/> <bond id="P-NITROPHENOL-bond10" atomRefs="P-NITROPHENOL-atom1 P-NITROPHENOL-atom10" order="2"/> <formula concise="H 4 N 1 C 6 O 3"/> 139.11 C1(C=C(C=CC([O-])=1)N(=O)=O)

CHEBI CHEBI:18202
structure data: InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2Fm0%2Fs1

CHEBI CHEBI:53171
structure data: InChI%3D1S%2FC14H16O2%2Fc1-13%289-5-11-15%297-3-4-8-14%282%2910-6-12-16%2Fh3-12H%2C1-2H3%2Fb4-3%2B%2C9-5%2B%2C10-6%2B%2C13-7%2B%2C14-8%2B

CHEBI CHEBI:46898
structure data: InChI%3D1S%2FC45H78O2%2Fc1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43%2846%2947-38-30-32-44%285%2937%2834-38%2926-27-39-41-29-28-40%2836%284%2924-22-23-35%282%293%2945%2841%2C6%2933-31-42%2839%2944%2Fh14-15%2C26%2C35-36%2C38-42H%2C7-13%2C16-25%2C27-34H2%2C1-6H3%2Fb15-14-%2Ft36-%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42%2B%2C44%2B%2C45-%2Fm1%2Fs1

CHEBI CHEBI:27568
structure data: InChI%3D1S%2FSe

biopax-level3ChemicalStructure137823
structure data: <atom id="CPD66-23-atom1" elementType="C" x2="14418.0" y2="-31976.0"/> <atom id="CPD66-23-atom2" elementType="O" x2="27568.0" y2="-32073.0"/> <atom id="CPD66-23-atom3" elementType="C" x2="13151.0" y2="-7426.0"/> <atom id="CPD66-23-atom4" elementType="C" x2="21042.0" y2="-27689.0"/> <atom id="CPD66-23-atom5" elementType="C" x2="-9158.0" y2="-12102.0"/> <atom id="CPD66-23-atom6" elementType="O" x2="-30282.0" y2="8381.0"/> <atom id="CPD66-23-atom7" elementType="C" x2="13151.0" y2="-15025.0"/> <atom id="CPD66-23-atom8" elementType="C" x2="-1753.0" y2="8161.0"/> <atom id="CPD66-23-atom9" elementType="C" x2="-9158.0" y2="-4211.0"/> <atom id="CPD66-23-atom10" elementType="C" x2="13151.0" y2="-22915.0"/> <atom id="CPD66-23-atom11" elementType="C" x2="-9158.0" y2="3874.0"/> <atom id="CPD66-23-atom12" elementType="C" x2="5455.0" y2="-4211.0"/> <atom id="CPD66-23-atom13" elementType="C" x2="-24548.0" y2="-4211.0"/> <atom id="CPD66-23-atom14" elementType="C" x2="-1753.0" y2="-15999.0"/> <atom id="CPD66-23-atom15" elementType="C" x2="5748.0" y2="-19896.0"/> <atom id="CPD66-23-atom16" elementType="C" x2="28738.0" y2="-15025.0"/> <atom id="CPD66-23-atom17" elementType="C" x2="5455.0" y2="3874.0"/> <atom id="CPD66-23-atom18" elementType="C" x2="-16951.0" y2="-7426.0"/> <atom id="CPD66-23-atom19" elementType="C" x2="-16951.0" y2="8161.0"/> <atom id="CPD66-23-atom20" elementType="C" x2="-24548.0" y2="3874.0"/> <atom id="CPD66-23-atom21" elementType="C" x2="28738.0" y2="-7426.0"/> <atom id="CPD66-23-atom22" elementType="C" x2="21042.0" y2="-19604.0"/> <atom id="CPD66-23-atom23" elementType="C" x2="-1753.0" y2="-7426.0"/> <atom id="CPD66-23-atom24" elementType="O" x2="28544.0" y2="-23035.0"/> <bond id="CPD66-23-bond1" atomRefs="CPD66-23-atom23 CPD66-23-atom14" order="1"/> <bond id="CPD66-23-bond2" atomRefs="CPD66-23-atom22 CPD66-23-atom7" order="1"/> <bond id="CPD66-23-bond3" atomRefs="CPD66-23-atom21 CPD66-23-atom3" order="1"/> <bond id="CPD66-23-bond4" atomRefs="CPD66-23-atom20 CPD66…

CHEBI CHEBI:18240
structure data: InChI%3D1S%2FC5H9NO3%2Fc7-3-1-4%285%288%299%296-2-3%2Fh3-4%2C6-7H%2C1-2H2%2C%28H%2C8%2C9%29%2Ft3%3F%2C4-%2Fm0%2Fs1

CHEBI CHEBI:17996
structure data: InChI%3D1S%2FClH%2Fh1H%2Fp-1

CHEBI CHEBI:16094
structure data: InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2

CHEBI CHEBI:50129
structure data: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

CHEBI CHEBI:27814
structure data: InChI%3D1S%2FC20H30O4%2Fc1-2-3-4-5-6-9-13-18%2821%2914-10-7-8-11-15-19%2822%2916-12-17-20%2823%2924%2Fh6-11%2C14-15%2C19%2C22H%2C2-5%2C12-13%2C16-17H2%2C1H3%2C%28H%2C23%2C24%29%2Fb8-7%2B%2C9-6-%2C14-10%2B%2C15-11-%2Ft19-%2Fm1%2Fs1

CHEBI CHEBI:28804
structure data: InChI%3D1S%2FC5H11NO2%2Fc1-2-3-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%2Ft4-%2Fm1%2Fs1

biopax-level3ChemicalStructure140636
structure data: <atom id="EHNA-atom1" elementType="C" x2="33250.0" y2="30983.0"/> <atom id="EHNA-atom2" elementType="C" x2="30701.0" y2="23136.0"/> <atom id="EHNA-atom3" elementType="C" x2="22631.0" y2="21421.0"/> <atom id="EHNA-atom4" elementType="C" x2="20082.0" y2="13576.0"/> <atom id="EHNA-atom5" elementType="C" x2="12013.0" y2="11861.0"/> <atom id="EHNA-atom6" elementType="C" x2="9464.0" y2="4014.0"/> <atom id="EHNA-atom7" elementType="C" x2="1394.0" y2="2299.0"/> <atom id="EHNA-atom8" elementType="C" x2="-4126.0" y2="8430.0"/> <atom id="EHNA-atom9" elementType="C" x2="-12196.0" y2="6715.0"/> <atom id="EHNA-atom10" elementType="O" x2="-1577.0" y2="16276.0"/> <atom id="EHNA-atom11" elementType="N" x2="-1155.0" y2="-5547.0"/> <atom id="EHNA-atom12" elementType="C" x2="3694.0" y2="-12221.0"/> <atom id="EHNA-atom13" elementType="N" x2="-1155.0" y2="-18896.0"/> <atom id="EHNA-atom14" elementType="C" x2="-9002.0" y2="-16346.0"/> <atom id="EHNA-atom15" elementType="C" x2="-9002.0" y2="-8096.0"/> <atom id="EHNA-atom16" elementType="N" x2="-16146.0" y2="-3971.0"/> <atom id="EHNA-atom17" elementType="C" x2="-23290.0" y2="-8096.0"/> <atom id="EHNA-atom18" elementType="N" x2="-23290.0" y2="-16346.0"/> <atom id="EHNA-atom19" elementType="C" x2="-16146.0" y2="-20470.0"/> <atom id="EHNA-atom20" elementType="N" x2="-16146.0" y2="-28720.0"/> <bond id="EHNA-bond1" atomRefs="EHNA-atom19 EHNA-atom20" order="1"/> <bond id="EHNA-bond2" atomRefs="EHNA-atom19 EHNA-atom14" order="1"/> <bond id="EHNA-bond3" atomRefs="EHNA-atom18 EHNA-atom19" order="2"/> <bond id="EHNA-bond4" atomRefs="EHNA-atom17 EHNA-atom18" order="1"/> <bond id="EHNA-bond5" atomRefs="EHNA-atom16 EHNA-atom17" order="2"/> <bond id="EHNA-bond6" atomRefs="EHNA-atom15 EHNA-atom16" order="1"/> <bond id="EHNA-bond7" atomRefs="EHNA-atom11 EHNA-atom15" order="1"/> <bond id="EHNA-bond8" atomRefs="EHNA-atom14 EHNA-atom15" order="2"/> <bond id="EHNA-bond9" atomRefs="EHNA-atom14 EHNA-atom13" order="1"/> <bond id="EHNA-bond10" atomRefs="EHNA-atom1…

CHEBI CHEBI:32370
structure data: InChI%3D1S%2FC14H26O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2815%2916%2Fh5-6H%2C2-4%2C7-13H2%2C1H3%2C%28H%2C15%2C16%29%2Fp-1%2Fb6-5-

biopax-level3ChemicalStructure160164
structure data: <atom id="CPD-5164-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5164-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5164-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5164-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5164-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5164-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5164-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5164-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5164-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5164-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5164-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5164-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5164-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5164-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5164-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5164-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5164-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5164-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5164-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5164-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5164-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5164-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5164-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5164-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5164-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5164-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5164-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

CHEBI CHEBI:17399
structure data: InChI%3D1S%2FC5H10O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh3%2C5-8%2C10H%2C1-2H2%2Ft3-%2C5%2B%2Fm0%2Fs1

CHEBI CHEBI:48687
structure data: InChI%3D1S%2FC16H24O%2Fc1-11-8-9-15%2816%2811%2C3%294%2914-7-5-6-13%2810-14%2912%282%2917%2Fh7-8%2C13%2C15H%2C5-6%2C9-10H2%2C1-4H3

biopax-level3ChemicalStructure163801
structure data: <atom id="CPD-7662-atom1" elementType="C" x2="937.0" y2="11751.0"/> <atom id="CPD-7662-atom2" elementType="C" x2="-6207.0" y2="15876.0"/> <atom id="CPD-7662-atom3" elementType="C" x2="-6207.0" y2="24126.0"/> <atom id="CPD-7662-atom4" elementType="C" x2="937.0" y2="28252.0"/> <atom id="CPD-7662-atom5" elementType="C" x2="8082.0" y2="24126.0"/> <atom id="CPD-7662-atom6" elementType="C" x2="8836.0" y2="16825.0"/> <atom id="CPD-7662-atom7" elementType="C" x2="14474.0" y2="10802.0"/> <atom id="CPD-7662-atom8" elementType="C" x2="16358.0" y2="1930.0"/> <atom id="CPD-7662-atom9" elementType="C" x2="23139.0" y2="1569.0"/> <atom id="CPD-7662-atom10" elementType="C" x2="30177.0" y2="2052.0"/> <atom id="CPD-7662-atom11" elementType="C" x2="12238.0" y2="-3935.0"/> <atom id="CPD-7662-atom12" elementType="C" x2="11849.0" y2="-17280.0"/> <atom id="CPD-7662-atom13" elementType="C" x2="15524.0" y2="-24667.0"/> <atom id="CPD-7662-atom14" elementType="C" x2="23952.0" y2="-9684.0"/> <atom id="CPD-7662-atom15" elementType="C" x2="28339.0" y2="-16671.0"/> <atom id="CPD-7662-atom16" elementType="O" x2="937.0" y2="36502.0"/> <atom id="CPD-7662-atom17" elementType="O" x2="-13353.0" y2="28252.0"/> <atom id="CPD-7662-atom18" elementType="N" x2="-13353.0" y2="11751.0" formalCharge="1"/> <atom id="CPD-7662-atom19" elementType="O" x2="-20498.0" y2="15876.0"/> <atom id="CPD-7662-atom20" elementType="O" x2="-13353.0" y2="3500.0" formalCharge="-1"/> <atom id="CPD-7662-atom21" elementType="O" x2="3663.0" y2="-6068.0"/> <atom id="CPD-7662-atom22" elementType="N" x2="15708.0" y2="-9988.0"/> <bond id="CPD-7662-bond1" atomRefs="CPD-7662-atom2 CPD-7662-atom1" order="2"/> <bond id="CPD-7662-bond2" atomRefs="CPD-7662-atom1 CPD-7662-atom6" order="1"/> <bond id="CPD-7662-bond3" atomRefs="CPD-7662-atom3 CPD-7662-atom2" order="1"/> <bond id="CPD-7662-bond4" atomRefs="CPD-7662-atom4 CPD-7662-atom3" order="2"/> <bond id="CPD-7662-bond5" atomRefs="CPD-7662-atom5 CPD-7662-atom4" order="1"/> <bond id="CPD-7662-bond…

CHEBI CHEBI:7777
structure data: InChI%3D1S%2FC25H36O4%2Fc1-15%282%2910-18-11-16%283%2925%2829-18%299-8-23%284%2912-19-22%2820%2827%2913-24%2819%2C5%2928%2917%2814-26%296-7-21%2823%2925%2Fh6%2C10%2C14%2C16%2C18-19%2C21-22%2C28H%2C7-9%2C11-13H2%2C1-5H3%2Fb17-6-%2Ft16-%2C18-%2C19-%2C21%2B%2C22%2B%2C23%2B%2C24%2B%2C25-%2Fm0%2Fs1

CHEBI CHEBI:3133
structure data: InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3

biopax-level3ChemicalStructure160719
structure data: <cml> <molecule id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT" title="N-acetyl-galactosaminyl-(1,3)-D-galactosyl-(1,4)-D-galactosyl-(1,4)-D-glucosylceramide" formalCharge="0" dictRef="dictN-ACETYL-D-GALACTOSAMINYL-13-D-GALACT"> <atomArray> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom1" elementType="C" x2="39302.0" y2="-14944.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom2" elementType="C" x2="8646.0" y2="-1917.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom3" elementType="O" x2="7324.0" y2="0.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom4" elementType="O" x2="21335.0" y2="-18778.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom5" elementType="O" x2="0.0" y2="-3940.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom6" elementType="O" x2="2416.0" y2="-8228.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom7" elementType="O" x2="11792.0" y2="-14021.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom8" elementType="O" x2="7118.0" y2="-10970.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom9" elementType="O" x2="21140.0" y2="-13013.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom10" elementType="O" x2="1211.0" y2="-1898.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom11" elementType="O" x2="17950.0" y2="-12397.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom12" elementType="O" x2="13304.0" y2="-9263.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom13" elementType="O" x2="3653.0" y2="-527.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom14" elementType="O" x2="15542.0" y2="-10831.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom15" elementType="O" x2="10868.0" y2="-7695.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom16" elementType="O" x2="3621.0" y2="-6157.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom17" elementType="O" x2="8462.0" y2="-6157.0"/> <atom id="N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT-atom18" elementType="R" x2="22538.0…

biopax-level3ChemicalStructure131783
structure data: <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom1" elementType="C" x2="2940.0" y2="474.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom2" elementType="C" x2="-6259.0" y2="-11759.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom3" elementType="C" x2="26457.0" y2="8060.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom4" elementType="C" x2="14414.0" y2="-15741.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom5" elementType="P" x2="-21621.0" y2="-11759.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom6" elementType="C" x2="-6259.0" y2="-16974.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom7" elementType="C" x2="10431.0" y2="-24940.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom8" elementType="O" x2="-14129.0" y2="-11759.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom9" elementType="O" x2="29776.0" y2="15267.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom10" elementType="O" x2="-29871.0" y2="-11759.0" formalCharge="-1"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom11" elementType="N" x2="14414.0" y2="474.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom12" elementType="N" x2="14224.0" y2="8060.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom13" elementType="O" x2="4267.0" y2="-11095.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom14" elementType="N" x2="-2750.0" y2="-5500.0" formalCharge="1"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom15" elementType="O" x2="-21621.0" y2="-3509.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom16" elementType="C" x2="-2371.0" y2="-24940.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom17" elementType="O" x2="-21621.0" y2="-20009.0" formalCharge="-1"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom18" elementType="O" x2="-2371.0" y2="-29871.0"/> <atom id="5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE-atom19" elementType="O" x2="10431.0" y2="-29871.0"/> <atom id=…

CHEBI CHEBI:57463
structure data: InChI%3D1S%2FC20H30O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19%2823-18%2916-14-17-20%2821%2922%2Fh6-7%2C9-13%2C15%2C18-19H%2C2-5%2C8%2C14%2C16-17H2%2C1H3%2C%28H%2C21%2C22%29%2Fp-1%2Fb7-6-%2C10-9-%2C12-11%2B%2C15-13%2B%2Ft18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:50516
structure data: InChI%3D1S%2FC27H46O2%2Fc1-17%282%2925%2829%2911-6-18%283%2922-9-10-23-21-8-7-19-16-20%2828%2912-14-26%2819%2C4%2924%2821%2913-15-27%2822%2C23%295%2Fh7%2C17-18%2C20-25%2C28-29H%2C6%2C8-16H2%2C1-5H3%2Ft18-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:32372
structure data: InChI%3D1S%2FC16H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16%2817%2918%2Fh7-8H%2C2-6%2C9-15H2%2C1H3%2C%28H%2C17%2C18%29%2Fp-1%2Fb8-7-

CHEBI CHEBI:28661
structure data: InChI%3D1S%2FC18H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh6-7%2C9-10%2C12-13H%2C2-5%2C8%2C11%2C14-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fb7-6-%2C10-9-%2C13-12-

CHEBI CHEBI:35687
structure data: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

CHEBI CHEBI:32368
structure data: InChI%3D1S%2FC11H22O2%2Fc1-2-3-4-5-6-7-8-9-10-11%2812%2913%2Fh2-10H2%2C1H3%2C%28H%2C12%2C13%29

biopax-level3ChemicalStructure142998
structure data: <atom id="CPD-29-atom1" elementType="O" x2="0.0" y2="-4125.0"/> <atom id="CPD-29-atom2" elementType="O" x2="1429.0" y2="-4125.0" formalCharge="-1"/> <atom id="CPD-29-atom3" elementType="CL" x2="0.0" y2="0.0"/> <atom id="CPD-29-atom4" elementType="C" x2="0.0" y2="-1650.0"/> <atom id="CPD-29-atom5" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-29-atom6" elementType="C" x2="0.0" y2="-2475.0"/> <atom id="CPD-29-atom7" elementType="C" x2="1429.0" y2="-2475.0"/> <atom id="CPD-29-atom8" elementType="HG" x2="714.0" y2="-412.0"/> <atom id="CPD-29-atom9" elementType="C" x2="714.0" y2="-3712.0"/> <atom id="CPD-29-atom10" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CPD-29-atom11" elementType="C" x2="714.0" y2="-2888.0"/> <bond id="CPD-29-bond1" atomRefs="CPD-29-atom9 CPD-29-atom11" order="1"/> <bond id="CPD-29-bond2" atomRefs="CPD-29-atom8 CPD-29-atom10" order="1"/> <bond id="CPD-29-bond3" atomRefs="CPD-29-atom11 CPD-29-atom7" order="1"/> <bond id="CPD-29-bond4" atomRefs="CPD-29-atom6 CPD-29-atom11" order="2"/> <bond id="CPD-29-bond5" atomRefs="CPD-29-atom5 CPD-29-atom10" order="1"/> <bond id="CPD-29-bond6" atomRefs="CPD-29-atom7 CPD-29-atom5" order="2"/> <bond id="CPD-29-bond7" atomRefs="CPD-29-atom10 CPD-29-atom4" order="2"/> <bond id="CPD-29-bond8" atomRefs="CPD-29-atom4 CPD-29-atom6" order="1"/> <bond id="CPD-29-bond9" atomRefs="CPD-29-atom3 CPD-29-atom8" order="1"/> <bond id="CPD-29-bond10" atomRefs="CPD-29-atom2 CPD-29-atom9" order="1"/> <bond id="CPD-29-bond11" atomRefs="CPD-29-atom1 CPD-29-atom9" order="2"/> <formula concise="H 4 HG 1 C 7 CL 1 O 2"/> 356.15 C1(C=C(C=CC=1[Hg]Cl)C(=O)[O-])

CHEBI CHEBI:28161
structure data: InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2-%2C3%2B%2C4-%2C5-%2Fm1%2Fs1

biopax-level3ChemicalStructure153238
structure data: <atom id="L-GLUTAMATE-5-P-atom1" elementType="C" x2="-22875.0" y2="-17389.0"/> <atom id="L-GLUTAMATE-5-P-atom2" elementType="C" x2="-1517.0" y2="-21505.0"/> <atom id="L-GLUTAMATE-5-P-atom3" elementType="C" x2="-8671.0" y2="-17389.0"/> <atom id="L-GLUTAMATE-5-P-atom4" elementType="O" x2="5633.0" y2="-9257.0"/> <atom id="L-GLUTAMATE-5-P-atom5" elementType="P" x2="21699.0" y2="-21798.0"/> <atom id="L-GLUTAMATE-5-P-atom6" elementType="O" x2="21699.0" y2="-13666.0"/> <atom id="L-GLUTAMATE-5-P-atom7" elementType="O" x2="21699.0" y2="-29930.0" formalCharge="-1"/> <atom id="L-GLUTAMATE-5-P-atom8" elementType="O" x2="13765.0" y2="-21798.0"/> <atom id="L-GLUTAMATE-5-P-atom9" elementType="C" x2="-15725.0" y2="-21505.0"/> <atom id="L-GLUTAMATE-5-P-atom10" elementType="O" x2="-22875.0" y2="-9257.0"/> <atom id="L-GLUTAMATE-5-P-atom11" elementType="O" x2="-29930.0" y2="-21505.0" formalCharge="-1"/> <atom id="L-GLUTAMATE-5-P-atom12" elementType="C" x2="5633.0" y2="-17389.0"/> <atom id="L-GLUTAMATE-5-P-atom13" elementType="O" x2="29831.0" y2="-21798.0" formalCharge="-1"/> <atom id="L-GLUTAMATE-5-P-atom14" elementType="N" x2="-15725.0" y2="-29637.0" formalCharge="1"/> <bond id="L-GLUTAMATE-5-P-bond1" atomRefs="L-GLUTAMATE-5-P-atom14 L-GLUTAMATE-5-P-atom9" order="1"/> <bond id="L-GLUTAMATE-5-P-bond2" atomRefs="L-GLUTAMATE-5-P-atom13 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-bond3" atomRefs="L-GLUTAMATE-5-P-atom12 L-GLUTAMATE-5-P-atom8" order="1"/> <bond id="L-GLUTAMATE-5-P-bond4" atomRefs="L-GLUTAMATE-5-P-atom11 L-GLUTAMATE-5-P-atom1" order="1"/> <bond id="L-GLUTAMATE-5-P-bond5" atomRefs="L-GLUTAMATE-5-P-atom10 L-GLUTAMATE-5-P-atom1" order="2"/> <bond id="L-GLUTAMATE-5-P-bond6" atomRefs="L-GLUTAMATE-5-P-atom9 L-GLUTAMATE-5-P-atom3" order="1"/> <bond id="L-GLUTAMATE-5-P-bond7" atomRefs="L-GLUTAMATE-5-P-atom8 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-bond8" atomRefs="L-GLUTAMATE-5-P-atom7 L-GLUTAMATE-5-P-atom5" order="1"/> <bond id="L-GLUTAMATE-5-P-…

biopax-level3ChemicalStructure139529
structure data: <atom id="CPD-607-atom1" elementType="N" x2="47648.0" y2="44950.0"/> <atom id="CPD-607-atom2" elementType="C" x2="40348.0" y2="41011.0"/> <atom id="CPD-607-atom3" elementType="N" x2="40219.0" y2="32638.0"/> <atom id="CPD-607-atom4" elementType="C" x2="47361.0" y2="28329.0"/> <atom id="CPD-607-atom5" elementType="C" x2="54789.0" y2="40642.0"/> <atom id="CPD-607-atom6" elementType="C" x2="54630.0" y2="32394.0"/> <atom id="CPD-607-atom7" elementType="N" x2="62409.0" y2="29751.0"/> <atom id="CPD-607-atom8" elementType="C" x2="67364.0" y2="36201.0"/> <atom id="CPD-607-atom9" elementType="N" x2="47225.0" y2="19027.0"/> <atom id="CPD-607-atom10" elementType="C" x2="57882.0" y2="55568.0"/> <atom id="CPD-607-atom11" elementType="C" x2="56098.0" y2="63890.0"/> <atom id="CPD-607-atom12" elementType="C" x2="47350.0" y2="63755.0"/> <atom id="CPD-607-atom13" elementType="C" x2="44540.0" y2="56083.0"/> <atom id="CPD-607-atom14" elementType="O" x2="51012.0" y2="50941.0"/> <atom id="CPD-607-atom15" elementType="O" x2="61699.0" y2="72334.0"/> <atom id="CPD-607-atom16" elementType="O" x2="42216.0" y2="71361.0"/> <atom id="CPD-607-atom17" elementType="C" x2="36599.0" y2="53847.0"/> <atom id="CPD-607-atom18" elementType="N" x2="62700.0" y2="42986.0"/> <atom id="CPD-607-atom19" elementType="P" x2="-10586.0" y2="59575.0"/> <atom id="CPD-607-atom20" elementType="O" x2="-10586.0" y2="51325.0" formalCharge="-1"/> <atom id="CPD-607-atom21" elementType="O" x2="-10586.0" y2="67823.0"/> <atom id="CPD-607-atom22" elementType="O" x2="-2337.0" y2="59575.0"/> <atom id="CPD-607-atom23" elementType="P" x2="5911.0" y2="59575.0"/> <atom id="CPD-607-atom24" elementType="O" x2="5911.0" y2="51325.0" formalCharge="-1"/> <atom id="CPD-607-atom25" elementType="O" x2="5911.0" y2="67823.0"/> <atom id="CPD-607-atom26" elementType="O" x2="14161.0" y2="59575.0"/> <atom id="CPD-607-atom27" elementType="P" x2="22409.0" y2="59575.0"/> <atom id="CPD-607-atom28" elementType="O" x2="30657.0" y2="59575.0"/> <atom id="CPD…

CHEBI CHEBI:57756
structure data: InChI%3D1S%2FC18H37NO2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18%2821%2917%2819%2916-20%2Fh14-15%2C17-18%2C20-21H%2C2-13%2C16%2C19H2%2C1H3%2Fp%2B1%2Fb15-14%2B%2Ft17-%2C18%2B%2Fm0%2Fs1

CHEBI CHEBI:641
structure data: InChI%3D1S%2FC12H12N%2Fc1-13-9-7-12%288-10-13%2911-5-3-2-4-6-11%2Fh2-10H%2C1H3%2Fq%2B1

biopax-level3ChemicalStructure155326
structure data: <atom id="Protein-phospho-fructosamines-atom1" elementType="O" x2="418.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom2" elementType="C" x2="489.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom3" elementType="C" x2="560.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom4" elementType="C" x2="632.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom5" elementType="C" x2="703.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom6" elementType="C" x2="775.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom7" elementType="C" x2="846.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom8" elementType="N" x2="918.0" y2="719.0" formalCharge="1"/> <atom id="Protein-phospho-fructosamines-atom9" elementType="C" x2="989.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom10" elementType="C" x2="1061.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom11" elementType="C" x2="1132.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom12" elementType="C" x2="1203.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom13" elementType="C" x2="1275.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom14" elementType="C" x2="1346.0" y2="719.0"/> <atom id="Protein-phospho-fructosamines-atom15" elementType="O" x2="1418.0" y2="761.0"/> <atom id="Protein-phospho-fructosamines-atom16" elementType="General-Protein-Substrates" x2="1347.0" y2="601.0"/> <atom id="Protein-phospho-fructosamines-atom17" elementType="O" x2="560.0" y2="843.0"/> <atom id="Protein-phospho-fructosamines-atom18" elementType="O" x2="632.0" y2="637.0"/> <atom id="Protein-phospho-fructosamines-atom19" elementType="O" x2="703.0" y2="843.0"/> <atom id="Protein-phospho-fructosamines-atom20" elementType="O" x2="775.0" y2="637.0"/> <atom id="Protein-phospho-fructosamines-atom21" elementType="N" x2="1275.0" y2="843.0"/> <atom id="Protein-phospho-fructosamines-atom22" elementType="General-Protein-Substrates" x2="1275.0" y2="965.0"…

CHEBI CHEBI:49544
structure data: InChI%3D1S%2FCr%2Fq%2B3

biopax-level3ChemicalStructure141564
structure data: <cml> <molecule id="METHIONYL-PEPTIDE" title="methionyl peptide" formalCharge="0" dictRef="dictMETHIONYL-PEPTIDE"> <atomArray> <atom id="METHIONYL-PEPTIDE-atom1" elementType="C" x2="0.0" y2="-8250000.0"/> <atom id="METHIONYL-PEPTIDE-atom2" elementType="N" x2="2.8579e+7" y2="0.0"/> <atom id="METHIONYL-PEPTIDE-atom3" elementType="O" x2="1.00026e+8" y2="-1000.0"/> <atom id="METHIONYL-PEPTIDE-atom4" elementType="O" x2="3.5723e+7" y2="-2.0625e+7"/> <atom id="METHIONYL-PEPTIDE-atom5" elementType="O" x2="7.8591e+7" y2="-2.0625998e+7"/> <atom id="METHIONYL-PEPTIDE-atom6" elementType="O" x2="5.7158e+7" y2="-1000.0"/> <atom id="METHIONYL-PEPTIDE-atom7" elementType="O" x2="1.0717e+8" y2="-1.2376e+7"/> <atom id="METHIONYL-PEPTIDE-atom8" elementType="R" x2="9.2881e+7" y2="-2.0625998e+7"/> <atom id="METHIONYL-PEPTIDE-atom9" elementType="R" x2="5.0013e+7" y2="-2.0625998e+7"/> <atom id="METHIONYL-PEPTIDE-atom10" elementType="R" x2="7.1447e+7" y2="-1000.0"/> <atom id="METHIONYL-PEPTIDE-atom11" elementType="C" x2="1.4289e+7" y2="-8250000.0"/> <atom id="METHIONYL-PEPTIDE-atom12" elementType="C" x2="2.1434e+7" y2="-1.2375e+7"/> <atom id="METHIONYL-PEPTIDE-atom13" elementType="N" x2="8.5736e+7" y2="-8251000.0"/> <atom id="METHIONYL-PEPTIDE-atom14" elementType="N" x2="4.2868e+7" y2="-8250000.0"/> <atom id="METHIONYL-PEPTIDE-atom15" elementType="N" x2="6.4302e+7" y2="-1.2376e+7"/> <atom id="METHIONYL-PEPTIDE-atom16" elementType="S" x2="7145000.0" y2="-1.2375e+7"/> <atom id="METHIONYL-PEPTIDE-atom17" elementType="C" x2="1.00026e+8" y2="-8251000.0"/> <atom id="METHIONYL-PEPTIDE-atom18" elementType="C" x2="3.5723e+7" y2="-1.2375e+7"/> <atom id="METHIONYL-PEPTIDE-atom19" elementType="C" x2="7.8592e+7" y2="-1.2376e+7"/> <atom id="METHIONYL-PEPTIDE-atom20" elementType="C" x2="5.7158e+7" y2="-8251000.0"/> <atom id="METHIONYL-PEPTIDE-atom21" elementType="C" x2="2.8579e+7" y2="-8250000.0"/> <atom id="METHIONYL-PEPTIDE-atom22" elementType="C" x2="9.2881e+7" y2="-1.2376e+7"/> <atom id="METHIONYL-PEP…

CHEBI CHEBI:25941
structure data: InChI%3D1S%2FHNO3%2Fc2-1-4-3%2Fh3H%2Fp-1

biopax-level3ChemicalStructure162838
structure data: <atom id="O-ACETYLCARNITINE-atom1" elementType="O" x2="11093.0" y2="-15575.0"/> <atom id="O-ACETYLCARNITINE-atom2" elementType="C" x2="-24496.0" y2="-4288.0"/> <atom id="O-ACETYLCARNITINE-atom3" elementType="C" x2="3832.0" y2="-3857.0"/> <atom id="O-ACETYLCARNITINE-atom4" elementType="O" x2="-3287.0" y2="-15431.0"/> <atom id="O-ACETYLCARNITINE-atom5" elementType="N" x2="-17953.0" y2="-8027.0" formalCharge="1"/> <atom id="O-ACETYLCARNITINE-atom6" elementType="C" x2="11093.0" y2="-8027.0"/> <atom id="O-ACETYLCARNITINE-atom7" elementType="C" x2="-10619.0" y2="-3857.0"/> <atom id="O-ACETYLCARNITINE-atom8" elementType="O" x2="17635.0" y2="-4288.0" formalCharge="-1"/> <atom id="O-ACETYLCARNITINE-atom9" elementType="C" x2="-3287.0" y2="-8027.0"/> <atom id="O-ACETYLCARNITINE-atom10" elementType="C" x2="-17953.0" y2="-478.0"/> <atom id="O-ACETYLCARNITINE-atom11" elementType="C" x2="-17953.0" y2="-15575.0"/> <atom id="O-ACETYLCARNITINE-atom12" elementType="C" x2="1580.0" y2="-22093.0"/> <atom id="O-ACETYLCARNITINE-atom13" elementType="O" x2="-1756.0" y2="-29639.0"/> <atom id="O-ACETYLCARNITINE-atom14" elementType="C" x2="9782.0" y2="-21209.0"/> <bond id="O-ACETYLCARNITINE-bond1" atomRefs="O-ACETYLCARNITINE-atom11 O-ACETYLCARNITINE-atom5" order="1"/> <bond id="O-ACETYLCARNITINE-bond2" atomRefs="O-ACETYLCARNITINE-atom10 O-ACETYLCARNITINE-atom5" order="1"/> <bond id="O-ACETYLCARNITINE-bond3" atomRefs="O-ACETYLCARNITINE-atom9 O-ACETYLCARNITINE-atom3" order="1"/> <bond id="O-ACETYLCARNITINE-bond4" atomRefs="O-ACETYLCARNITINE-atom8 O-ACETYLCARNITINE-atom6" order="1"/> <bond id="O-ACETYLCARNITINE-bond5" atomRefs="O-ACETYLCARNITINE-atom7 O-ACETYLCARNITINE-atom9" order="1"/> <bond id="O-ACETYLCARNITINE-bond6" atomRefs="O-ACETYLCARNITINE-atom6 O-ACETYLCARNITINE-atom3" order="1"/> <bond id="O-ACETYLCARNITINE-bond7" atomRefs="O-ACETYLCARNITINE-atom5 O-ACETYLCARNITINE-atom7" order="1"/> <bond id="O-ACETYLCARNITINE-bond8" atomRefs="O-ACETYLCARNITINE-atom4 O-ACETYLCARNITINE-atom9" order="1"…

CHEBI CHEBI:60474
structure data: InChI%3D1S%2FC40H80NO8P%2Fc1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39%2842%2946-36-38%2837-48-50%2844%2C45%2947-35-34-41%283%2C4%295%2949-40%2843%2933-31-29-27-25-23-21-19-17-15-13-11-9-7-2%2Fh38H%2C6-37H2%2C1-5H3%2Fp%2B1%2Ft38-%2Fm1%2Fs1%2Fi39%2B2%2C40%2B2

CHEBI CHEBI:17780
structure data: InChI%3D1S%2FC11H12N2O3%2Fc12-9%2811%2815%2916%293-6-5-13-10-2-1-7%2814%294-8%286%2910%2Fh1-2%2C4-5%2C9%2C13-14H%2C3%2C12H2%2C%28H%2C15%2C16%29%2Ft9-%2Fm0%2Fs1

biopax-level3ChemicalStructure132902
structure data: <atom id="GLUTARYL-COA-atom1" elementType="C" x2="38486.0" y2="-15705.0"/> <atom id="GLUTARYL-COA-atom2" elementType="N" x2="-51775.0" y2="-11563.0"/> <atom id="GLUTARYL-COA-atom3" elementType="C" x2="35379.0" y2="-21745.0"/> <atom id="GLUTARYL-COA-atom4" elementType="C" x2="19674.0" y2="-32100.0"/> <atom id="GLUTARYL-COA-atom5" elementType="N" x2="25197.0" y2="-2243.0"/> <atom id="GLUTARYL-COA-atom6" elementType="O" x2="-45217.0" y2="863.0"/> <atom id="GLUTARYL-COA-atom7" elementType="O" x2="42973.0" y2="-33654.0"/> <atom id="GLUTARYL-COA-atom8" elementType="C" x2="-45217.0" y2="-7766.0"/> <atom id="GLUTARYL-COA-atom9" elementType="O" x2="26751.0" y2="-44526.0"/> <atom id="GLUTARYL-COA-atom10" elementType="C" x2="43491.0" y2="5695.0"/> <atom id="GLUTARYL-COA-atom11" elementType="P" x2="42973.0" y2="-43146.0"/> <atom id="GLUTARYL-COA-atom12" elementType="N" x2="17949.0" y2="9319.0"/> <atom id="GLUTARYL-COA-atom13" elementType="C" x2="-51775.0" y2="-32964.0"/> <atom id="GLUTARYL-COA-atom14" elementType="O" x2="30375.0" y2="-11390.0"/> <atom id="GLUTARYL-COA-atom15" elementType="O" x2="-35897.0" y2="-23816.0"/> <atom id="GLUTARYL-COA-atom16" elementType="N" x2="-28994.0" y2="-36760.0"/> <atom id="GLUTARYL-COA-atom17" elementType="O" x2="-9147.0" y2="2071.0"/> <atom id="GLUTARYL-COA-atom18" elementType="O" x2="-18984.0" y2="-6558.0"/> <atom id="GLUTARYL-COA-atom19" elementType="O" x2="35379.0" y2="-26923.0"/> <atom id="GLUTARYL-COA-atom20" elementType="C" x2="26751.0" y2="-35897.0"/> <atom id="GLUTARYL-COA-atom21" elementType="C" x2="518.0" y2="-37106.0"/> <atom id="GLUTARYL-COA-atom22" elementType="C" x2="-35897.0" y2="-32446.0"/> <atom id="GLUTARYL-COA-atom23" elementType="C" x2="-13461.0" y2="-36760.0"/> <atom id="GLUTARYL-COA-atom24" elementType="C" x2="24507.0" y2="13289.0"/> <atom id="GLUTARYL-COA-atom25" elementType="O" x2="6558.0" y2="-15187.0" formalCharge="-1"/> <atom id="GLUTARYL-COA-atom26" elementType="C" x2="-32618.0" y2="-7766.0"/> <atom id="GLUTARYL-COA…

CHEBI CHEBI:16422
structure data: InChI%3D1S%2FC19H26O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh11%2C14-16H%2C3-10H2%2C1-2H3%2Ft14-%2C15-%2C16-%2C18-%2C19-%2Fm0%2Fs1

biopax-level3ChemicalStructure147470
structure data: <atom id="CPD-6741-atom1" elementType="O" x2="6145.0" y2="-1423.0"/> <atom id="CPD-6741-atom2" elementType="O" x2="4366.0" y2="-6601.0" formalCharge="-1"/> <atom id="CPD-6741-atom3" elementType="O" x2="1490.0" y2="-4919.0"/> <atom id="CPD-6741-atom4" elementType="O" x2="2593.0" y2="-1360.0"/> <atom id="CPD-6741-atom5" elementType="O" x2="6955.0" y2="-2861.0" formalCharge="-1"/> <atom id="CPD-6741-atom6" elementType="O" x2="7293.0" y2="-1784.0" formalCharge="-1"/> <atom id="CPD-6741-atom7" elementType="O" x2="5191.0" y2="-5776.0" formalCharge="-1"/> <atom id="CPD-6741-atom8" elementType="O" x2="3540.0" y2="-5776.0"/> <atom id="CPD-6741-atom9" elementType="O" x2="2563.0" y2="-5270.0" formalCharge="-1"/> <atom id="CPD-6741-atom10" elementType="O" x2="1834.0" y2="-3790.0" formalCharge="-1"/> <atom id="CPD-6741-atom11" elementType="O" x2="1822.0" y2="-2819.0" formalCharge="-1"/> <atom id="CPD-6741-atom12" elementType="O" x2="5795.0" y2="-4126.0"/> <atom id="CPD-6741-atom13" elementType="O" x2="5795.0" y2="-2475.0"/> <atom id="CPD-6741-atom14" elementType="O" x2="4366.0" y2="-4951.0"/> <atom id="CPD-6741-atom15" elementType="O" x2="4366.0" y2="-1650.0"/> <atom id="CPD-6741-atom16" elementType="O" x2="2936.0" y2="-4126.0"/> <atom id="CPD-6741-atom17" elementType="O" x2="2936.0" y2="-2475.0"/> <atom id="CPD-6741-atom18" elementType="O" x2="1457.0" y2="-1747.0" formalCharge="-1"/> <atom id="CPD-6741-atom19" elementType="C" x2="5081.0" y2="-3712.0"/> <atom id="CPD-6741-atom20" elementType="C" x2="5081.0" y2="-2888.0"/> <atom id="CPD-6741-atom21" elementType="C" x2="4366.0" y2="-4126.0"/> <atom id="CPD-6741-atom22" elementType="C" x2="4366.0" y2="-2475.0"/> <atom id="CPD-6741-atom23" elementType="C" x2="3652.0" y2="-3712.0"/> <atom id="CPD-6741-atom24" elementType="C" x2="3652.0" y2="-2888.0"/> <atom id="CPD-6741-atom25" elementType="P" x2="6550.0" y2="-2142.0"/> <atom id="CPD-6741-atom26" elementType="P" x2="4366.0" y2="-5776.0"/> <atom id="CPD-6741-atom27" elementType="P" x2…

CHEBI CHEBI:29299
structure data: InChI%3D1S%2FH2%2Fh1H%2Fi1%2B0H

biopax-level3ChemicalStructure168787
structure data: <atom id="DOPAQUINONE-atom1" elementType="C" x2="-147630.0" y2="-140680.0"/> <atom id="DOPAQUINONE-atom2" elementType="C" x2="-216900.0" y2="860.0"/> <atom id="DOPAQUINONE-atom3" elementType="O" x2="-146870.0" y2="217770.0"/> <atom id="DOPAQUINONE-atom4" elementType="C" x2="-216900.0" y2="80780.0"/> <atom id="DOPAQUINONE-atom5" elementType="C" x2="-147630.0" y2="-40230.0"/> <atom id="DOPAQUINONE-atom6" elementType="C" x2="-76090.0" y2="80780.0"/> <atom id="DOPAQUINONE-atom7" elementType="C" x2="-76090.0" y2="860.0"/> <atom id="DOPAQUINONE-atom8" elementType="O" x2="-293750.0" y2="137100.0"/> <atom id="DOPAQUINONE-atom9" elementType="C" x2="-146870.0" y2="121870.0"/> <atom id="DOPAQUINONE-atom10" elementType="C" x2="-76180.0" y2="-181930.0"/> <atom id="DOPAQUINONE-atom11" elementType="C" x2="-76180.0" y2="-264430.0"/> <atom id="DOPAQUINONE-atom12" elementType="O" x2="-134520.0" y2="-322770.0"/> <atom id="DOPAQUINONE-atom13" elementType="O" x2="-4730.0" y2="-305680.0" formalCharge="-1"/> <atom id="DOPAQUINONE-atom14" elementType="N" x2="-4730.0" y2="-140680.0" formalCharge="1"/> <bond id="DOPAQUINONE-bond1" atomRefs="DOPAQUINONE-atom9 DOPAQUINONE-atom4" order="1"/> <bond id="DOPAQUINONE-bond2" atomRefs="DOPAQUINONE-atom9 DOPAQUINONE-atom6" order="1"/> <bond id="DOPAQUINONE-bond3" atomRefs="DOPAQUINONE-atom8 DOPAQUINONE-atom4" order="2"/> <bond id="DOPAQUINONE-bond4" atomRefs="DOPAQUINONE-atom7 DOPAQUINONE-atom5" order="1"/> <bond id="DOPAQUINONE-bond5" atomRefs="DOPAQUINONE-atom6 DOPAQUINONE-atom7" order="2"/> <bond id="DOPAQUINONE-bond6" atomRefs="DOPAQUINONE-atom5 DOPAQUINONE-atom1" order="1"/> <bond id="DOPAQUINONE-bond7" atomRefs="DOPAQUINONE-atom4 DOPAQUINONE-atom2" order="1"/> <bond id="DOPAQUINONE-bond8" atomRefs="DOPAQUINONE-atom3 DOPAQUINONE-atom9" order="2"/> <bond id="DOPAQUINONE-bond9" atomRefs="DOPAQUINONE-atom2 DOPAQUINONE-atom5" order="2"/> <bond id="DOPAQUINONE-bond10" atomRefs="DOPAQUINONE-atom1 DOPAQUINONE-atom10" order="1"/> <bond id="DOPAQUINONE-bo…

CHEBI CHEBI:36219
structure data: InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11%2B%2C12%2B%2Fm1%2Fs1

CHEBI CHEBI:52984
structure data: InChI%3D1S%2FC26H50O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26%2827%2928%2Fh24-25H%2C2-23H2%2C1H3%2C%28H%2C27%2C28%29%2Fb25-24%2B

CHEBI CHEBI:27823
structure data: InChI%3D1S%2FC10H9NO3%2Fc12-7-1-2-9-8%284-7%296%285-11-9%293-10%2813%2914%2Fh1-2%2C4-5%2C11-12H%2C3H2%2C%28H%2C13%2C14%29

biopax-level3ChemicalStructure171140
structure data: <cml> <molecule id="Thyroglobulin-3-5-diiodotyrosines" title="[thyroglobulin]-3,5-diiodotyrosine" formalCharge="0" dictRef="dictThyroglobulin-3-5-diiodotyrosines"> <atomArray> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom1" elementType="Protein" x2="-39704.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom2" elementType="N" x2="-32559.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom3" elementType="C" x2="-25414.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom4" elementType="C" x2="-18269.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom5" elementType="C" x2="-11125.0" y2="-22687.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom6" elementType="O" x2="-25414.0" y2="-30937.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom7" elementType="N" x2="-18269.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom8" elementType="C" x2="-24735.0" y2="-5188.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom9" elementType="Protein" x2="-24629.0" y2="3061.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom10" elementType="O" x2="-32185.0" y2="-8731.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom11" elementType="C" x2="-3980.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom12" elementType="C" x2="3165.0" y2="-22688.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom13" elementType="C" x2="-3980.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom14" elementType="C" x2="3165.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom15" elementType="C" x2="10309.0" y2="-10312.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom16" elementType="C" x2="10309.0" y2="-18562.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom17" elementType="O" x2="17454.0" y2="-6187.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom18" elementType="I" x2="17454.0" y2="-22686.0"/> <atom id="Thyroglobulin-3-5-diiodotyrosines-atom19" elementType="I" x2="3…

CHEBI CHEBI:16881
structure data: InChI%3D1S%2FC8H7N%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6%2C9H

CHEBI CHEBI:52979
structure data: InChI%3D1S%2FC42H85NO4%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41%2846%2943-39%2838-44%2942%2847%2940%2845%2936-34-32-30-28-26-16-14-12-10-8-6-4-2%2Fh39-40%2C42%2C44-45%2C47H%2C3-38H2%2C1-2H3%2C%28H%2C43%2C46%29%2Ft39-%2C40%2B%2C42-%2Fm0%2Fs1

CHEBI CHEBI:60899
structure data: InChI%3D1S%2FC9H12O4%2Fc1-5-4-6%2810%298%2812-2%299%2813-3%297%285%2911%2Fh4%2C10-11H%2C1-3H3

CHEBI CHEBI:35968
structure data: InChI%3D1S%2FC15H24O%2Fc1-13%282%297-5-8-14%283%299-6-10-15%284%2911-12-16%2Fh7%2C9%2C11-12H%2C5-6%2C8%2C10H2%2C1-4H3%2Fb14-9%2B%2C15-11-

CHEBI CHEBI:28771
structure data: InChI%3D1S%2FC18H28O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-17%2819%2915-16-18%2820%2921%2Fh5-10H%2C2-4%2C11-16H2%2C1H3%2C%28H%2C20%2C21%29%2Fb6-5%2B%2C8-7%2B%2C10-9-

CHEBI CHEBI:30744
structure data: InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)

CHEBI CHEBI:62452
structure data: InChI%3D1S%2FC30H50O%2Fc1-23%282%2913-11-16-25%284%2918-12-17-24%283%2914-9-10-15-26%285%2919-21-28-27%286%2920-22-29%2831%2930%2828%2C7%298%2Fh13-15%2C18%2C20%2C28-29%2C31H%2C9-12%2C16-17%2C19%2C21-22H2%2C1-8H3%2Fb24-14%2B%2C25-18%2B%2C26-15%2B%2Ft28-%2C29%2B%2Fm1%2Fs1

biopax-level3ChemicalStructure142549
structure data: <cml> <molecule id="Dermatan-Sulfate" title="dermatan sulfate" formalCharge="-2" dictRef="dictDermatan-Sulfate"> <atomArray> <atom id="Dermatan-Sulfate-atom1" elementType="O" x2="-22568.0" y2="-50827.0"/> <atom id="Dermatan-Sulfate-atom2" elementType="C" x2="-29713.0" y2="-46702.0"/> <atom id="Dermatan-Sulfate-atom3" elementType="C" x2="-29713.0" y2="-38452.0"/> <atom id="Dermatan-Sulfate-atom4" elementType="C" x2="-22568.0" y2="-34327.0"/> <atom id="Dermatan-Sulfate-atom5" elementType="C" x2="-15424.0" y2="-38452.0"/> <atom id="Dermatan-Sulfate-atom6" elementType="C" x2="-15424.0" y2="-46702.0"/> <atom id="Dermatan-Sulfate-atom7" elementType="O" x2="-22568.0" y2="-22820.0"/> <atom id="Dermatan-Sulfate-atom8" elementType="C" x2="-31892.0" y2="-13845.0"/> <atom id="Dermatan-Sulfate-atom9" elementType="O" x2="-39036.0" y2="-17970.0"/> <atom id="Dermatan-Sulfate-atom10" elementType="C" x2="-46181.0" y2="-13845.0"/> <atom id="Dermatan-Sulfate-atom11" elementType="C" x2="-46181.0" y2="-5595.0"/> <atom id="Dermatan-Sulfate-atom12" elementType="C" x2="-39036.0" y2="-1470.0"/> <atom id="Dermatan-Sulfate-atom13" elementType="C" x2="-31892.0" y2="-5595.0"/> <atom id="Dermatan-Sulfate-atom14" elementType="O" x2="-8279.0" y2="-50827.0"/> <atom id="Dermatan-Sulfate-atom15" elementType="N" x2="-8279.0" y2="-34327.0"/> <atom id="Dermatan-Sulfate-atom16" elementType="O" x2="-24747.0" y2="-1470.0"/> <atom id="Dermatan-Sulfate-atom17" elementType="O" x2="-53326.0" y2="-1470.0"/> <atom id="Dermatan-Sulfate-atom18" elementType="C" x2="-53326.0" y2="-17970.0"/> <atom id="Dermatan-Sulfate-atom19" elementType="O" x2="-39036.0" y2="6780.0"/> <atom id="Dermatan-Sulfate-atom20" elementType="O" x2="-36858.0" y2="-34327.0"/> <atom id="Dermatan-Sulfate-atom21" elementType="C" x2="-36858.0" y2="-50827.0"/> <atom id="Dermatan-Sulfate-atom22" elementType="O" x2="-36858.0" y2="-59077.0"/> <atom id="Dermatan-Sulfate-atom23" elementType="O" x2="-53326.0" y2="-26220.0"/> <atom id="Dermatan-Sulfate-ato…

CHEBI CHEBI:44658
structure data: InChI%3D1S%2FC44H68O13%2Fc1-25-21-34%2855-44%2823-25%2935%2846%2912-11-31%2854-44%2924-41%286%2C50%2940%2848%2949%2926%282%299-10-30-14-18-43%2853-30%2919-15-33-39%2857-43%2936%2847%2929%285%2938%2852-33%2932%2845%2922-28%284%2937-27%283%2913-17-42%2856-37%2916-7-8-20-51-42%2Fh9-10%2C23%2C26-28%2C30-39%2C45-47%2C50H%2C5%2C7-8%2C11-22%2C24H2%2C1-4%2C6H3%2C%28H%2C48%2C49%29%2Fb10-9%2B%2Ft26-%2C27-%2C28%2B%2C30%2B%2C31%2B%2C32%2B%2C33-%2C34%2B%2C35-%2C36-%2C37%2B%2C38%2B%2C39-%2C41-%2C42%2B%2C43-%2C44-%2Fm1%2Fs1

biopax-level3ChemicalStructure152224
structure data: <atom id="FAD-atom1" elementType="P" x2="7145.0" y2="-2475.0"/> <atom id="FAD-atom2" elementType="O" x2="0.0" y2="1650.0"/> <atom id="FAD-atom3" elementType="C" x2="-7145.0" y2="-2475.0"/> <atom id="FAD-atom4" elementType="C" x2="-14289.0" y2="1650.0"/> <atom id="FAD-atom5" elementType="O" x2="14289.0" y2="1650.0"/> <atom id="FAD-atom6" elementType="N" x2="-42868.0" y2="1651.0"/> <atom id="FAD-atom7" elementType="C" x2="-42868.0" y2="9901.0"/> <atom id="FAD-atom8" elementType="C" x2="-50013.0" y2="-2474.0"/> <atom id="FAD-atom9" elementType="C" x2="-35724.0" y2="-2474.0"/> <atom id="FAD-atom10" elementType="C" x2="-50013.0" y2="14026.0"/> <atom id="FAD-atom11" elementType="N" x2="-35724.0" y2="14026.0"/> <atom id="FAD-atom12" elementType="C" x2="-57158.0" y2="1651.0"/> <atom id="FAD-atom13" elementType="C" x2="-50013.0" y2="-10724.0"/> <atom id="FAD-atom14" elementType="N" x2="-57158.0" y2="9901.0"/> <atom id="FAD-atom15" elementType="C" x2="-50013.0" y2="22276.0"/> <atom id="FAD-atom16" elementType="C" x2="-35724.0" y2="22276.0"/> <atom id="FAD-atom17" elementType="C" x2="-64303.0" y2="-2474.0"/> <atom id="FAD-atom18" elementType="C" x2="-57159.0" y2="-14849.0"/> <atom id="FAD-atom19" elementType="O" x2="-28579.0" y2="9901.0"/> <atom id="FAD-atom20" elementType="N" x2="-42868.0" y2="26401.0"/> <atom id="FAD-atom21" elementType="O" x2="-57158.0" y2="26401.0"/> <atom id="FAD-atom22" elementType="O" x2="-28579.0" y2="26401.0"/> <atom id="FAD-atom23" elementType="C" x2="-64303.0" y2="-10724.0"/> <atom id="FAD-atom24" elementType="C" x2="-57159.0" y2="-23099.0"/> <atom id="FAD-atom25" elementType="O" x2="-21434.0" y2="-10724.0"/> <atom id="FAD-atom26" elementType="C" x2="-71448.0" y2="-14849.0"/> <atom id="FAD-atom27" elementType="O" x2="-14290.0" y2="9900.0"/> <atom id="FAD-atom28" elementType="O" x2="7145.0" y2="-10725.0"/> <atom id="FAD-atom29" elementType="O" x2="21434.0" y2="-10725.0"/> <atom id="FAD-atom30" elementType="C" x2="-28579.0" y2="1651.0"/> <atom id="FAD…

biopax-level3ChemicalStructure153266
structure data: <cml> <molecule id="CPD-8564" title="myosin light-chain" formalCharge="0" dictRef="dictCPD-8564"> <atomArray> <atom id="CPD-8564-atom1" elementType="R" x2="-43607.0" y2="-2062.0"/> <atom id="CPD-8564-atom2" elementType="C" x2="-37774.0" y2="-7896.0"/> <atom id="CPD-8564-atom3" elementType="N" x2="-31940.0" y2="-2062.0"/> <atom id="CPD-8564-atom4" elementType="O" x2="-37774.0" y2="-16146.0"/> <atom id="CPD-8564-atom5" elementType="C" x2="-31940.0" y2="6188.0"/> <atom id="CPD-8564-atom6" elementType="C" x2="-37774.0" y2="12021.0"/> <atom id="CPD-8564-atom7" elementType="N" x2="-44918.0" y2="7896.0"/> <atom id="CPD-8564-atom8" elementType="R" x2="-52063.0" y2="12021.0"/> <atom id="CPD-8564-atom9" elementType="O" x2="-37774.0" y2="20271.0"/> <atom id="CPD-8564-atom10" elementType="C" x2="-24795.0" y2="10313.0"/> <atom id="CPD-8564-atom11" elementType="O" x2="-18829.0" y2="5009.0"/> </atomArray> <bondArray> <bond id="CPD-8564-bond1" atomRefs="CPD-8564-atom1 CPD-8564-atom2" order="1"/> <bond id="CPD-8564-bond2" atomRefs="CPD-8564-atom2 CPD-8564-atom3" order="1"/> <bond id="CPD-8564-bond3" atomRefs="CPD-8564-atom2 CPD-8564-atom4" order="2"/> <bond id="CPD-8564-bond4" atomRefs="CPD-8564-atom5 CPD-8564-atom3" order="1"/> <bond id="CPD-8564-bond5" atomRefs="CPD-8564-atom5 CPD-8564-atom6" order="1"/> <bond id="CPD-8564-bond6" atomRefs="CPD-8564-atom6 CPD-8564-atom7" order="1"/> <bond id="CPD-8564-bond7" atomRefs="CPD-8564-atom7 CPD-8564-atom8" order="1"/> <bond id="CPD-8564-bond8" atomRefs="CPD-8564-atom6 CPD-8564-atom9" order="2"/> <bond id="CPD-8564-bond9" atomRefs="CPD-8564-atom5 CPD-8564-atom10" order="1"/> <bond id="CPD-8564-bond10" atomRefs="CPD-8564-atom10 CPD-8564-atom11" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C(=O)(NC(CO)C(=O)N[R])[R]</string> </molecule> </cml>

biopax-level3ChemicalStructure139521
structure data: <atom id="CPD-11561-atom1" elementType="O" x2="5313.0" y2="-3305.0"/> <atom id="CPD-11561-atom2" elementType="O" x2="7289.0" y2="-1325.0"/> <atom id="CPD-11561-atom3" elementType="O" x2="5310.0" y2="-1664.0" formalCharge="-1"/> <atom id="CPD-11561-atom4" elementType="C" x2="9978.0" y2="-4787.0"/> <atom id="CPD-11561-atom5" elementType="C" x2="6745.0" y2="-3029.0"/> <atom id="CPD-11561-atom6" elementType="N" x2="9497.0" y2="-5461.0"/> <atom id="CPD-11561-atom7" elementType="N" x2="7988.0" y2="-3957.0"/> <atom id="CPD-11561-atom8" elementType="O" x2="6134.0" y2="-2483.0"/> <atom id="CPD-11561-atom9" elementType="O" x2="8184.0" y2="-3250.0"/> <atom id="CPD-11561-atom10" elementType="C" x2="7277.0" y2="-4376.0"/> <atom id="CPD-11561-atom11" elementType="C" x2="7988.0" y2="-5616.0"/> <atom id="CPD-11561-atom12" elementType="C" x2="8707.0" y2="-5206.0"/> <atom id="CPD-11561-atom13" elementType="C" x2="8707.0" y2="-4376.0"/> <atom id="CPD-11561-atom14" elementType="C" x2="7525.0" y2="-2772.0"/> <atom id="CPD-11561-atom15" elementType="C" x2="7774.0" y2="-1987.0"/> <atom id="CPD-11561-atom16" elementType="C" x2="8599.0" y2="-1987.0"/> <atom id="CPD-11561-atom17" elementType="C" x2="8852.0" y2="-2772.0"/> <atom id="CPD-11561-atom18" elementType="N" x2="7277.0" y2="-5206.0"/> <atom id="CPD-11561-atom19" elementType="N" x2="9495.0" y2="-4128.0"/> <atom id="CPD-11561-atom20" elementType="P" x2="5312.0" y2="-2484.0"/> <atom id="CPD-11561-atom21" elementType="N" x2="7985.0" y2="-6441.0"/> <atom id="CPD-11561-atom22" elementType="O" x2="9084.0" y2="-1320.0"/> <atom id="CPD-11561-atom23" elementType="O" x2="4492.0" y2="-2484.0"/> <atom id="CPD-11561-atom24" elementType="O" x2="3667.0" y2="-3311.0"/> <atom id="CPD-11561-atom25" elementType="O" x2="3664.0" y2="-1661.0" formalCharge="-1"/> <atom id="CPD-11561-atom26" elementType="P" x2="3666.0" y2="-2486.0"/> <atom id="CPD-11561-atom27" elementType="O" x2="2841.0" y2="-2486.0"/> <atom id="CPD-11561-atom28" elementType="O" x2="2016.0" …

biopax-level3ChemicalStructure174301
structure data: <atom id="CPD-6746-atom1" elementType="O" x2="1490.0" y2="-4919.0"/> <atom id="CPD-6746-atom2" elementType="O" x2="2564.0" y2="-5270.0" formalCharge="-1"/> <atom id="CPD-6746-atom3" elementType="O" x2="1834.0" y2="-3790.0" formalCharge="-1"/> <atom id="CPD-6746-atom4" elementType="O" x2="5795.0" y2="-4126.0"/> <atom id="CPD-6746-atom5" elementType="O" x2="5795.0" y2="-2476.0"/> <atom id="CPD-6746-atom6" elementType="O" x2="4366.0" y2="-4951.0"/> <atom id="CPD-6746-atom7" elementType="O" x2="4366.0" y2="-1650.0"/> <atom id="CPD-6746-atom8" elementType="O" x2="2937.0" y2="-4126.0"/> <atom id="CPD-6746-atom9" elementType="O" x2="2937.0" y2="-2476.0"/> <atom id="CPD-6746-atom10" elementType="C" x2="5081.0" y2="-3713.0"/> <atom id="CPD-6746-atom11" elementType="C" x2="5081.0" y2="-2889.0"/> <atom id="CPD-6746-atom12" elementType="C" x2="4366.0" y2="-4126.0"/> <atom id="CPD-6746-atom13" elementType="C" x2="4366.0" y2="-2476.0"/> <atom id="CPD-6746-atom14" elementType="C" x2="3652.0" y2="-3713.0"/> <atom id="CPD-6746-atom15" elementType="C" x2="3652.0" y2="-2889.0"/> <atom id="CPD-6746-atom16" elementType="P" x2="2213.0" y2="-4523.0"/> <bond id="CPD-6746-bond1" atomRefs="CPD-6746-atom14 CPD-6746-atom15" order="1"/> <bond id="CPD-6746-bond2" atomRefs="CPD-6746-atom13 CPD-6746-atom15" order="1"/> <bond id="CPD-6746-bond3" atomRefs="CPD-6746-atom12 CPD-6746-atom14" order="1"/> <bond id="CPD-6746-bond4" atomRefs="CPD-6746-atom11 CPD-6746-atom13" order="1"/> <bond id="CPD-6746-bond5" atomRefs="CPD-6746-atom10 CPD-6746-atom12" order="1"/> <bond id="CPD-6746-bond6" atomRefs="CPD-6746-atom10 CPD-6746-atom11" order="1"/> <bond id="CPD-6746-bond7" atomRefs="CPD-6746-atom15 CPD-6746-atom9" order="1"/> <bond id="CPD-6746-bond8" atomRefs="CPD-6746-atom8 CPD-6746-atom16" order="1"/> <bond id="CPD-6746-bond9" atomRefs="CPD-6746-atom14 CPD-6746-atom8" order="1"/> <bond id="CPD-6746-bond10" atomRefs="CPD-6746-atom13 CPD-6746-atom7" order="1"/> <bond id="CPD-6746-bond11" atomRefs="CPD-6746-…

biopax-level3ChemicalStructure132029
structure data: <atom id="L-ARGININO-SUCCINATE-atom1" elementType="N" x2="26661.0" y2="-5086.0" formalCharge="1"/> <atom id="L-ARGININO-SUCCINATE-atom2" elementType="O" x2="33480.0" y2="-21743.0"/> <atom id="L-ARGININO-SUCCINATE-atom3" elementType="C" x2="-18836.0" y2="-2851.0"/> <atom id="L-ARGININO-SUCCINATE-atom4" elementType="C" x2="19283.0" y2="-8663.0"/> <atom id="L-ARGININO-SUCCINATE-atom5" elementType="C" x2="-26997.0" y2="-8887.0"/> <atom id="L-ARGININO-SUCCINATE-atom6" elementType="N" x2="19283.0" y2="-14477.0"/> <atom id="L-ARGININO-SUCCINATE-atom7" elementType="C" x2="12912.0" y2="-24537.0"/> <atom id="L-ARGININO-SUCCINATE-atom8" elementType="O" x2="-26997.0" y2="-17160.0"/> <atom id="L-ARGININO-SUCCINATE-atom9" elementType="O" x2="25991.0" y2="-33592.0" formalCharge="-1"/> <atom id="L-ARGININO-SUCCINATE-atom10" elementType="N" x2="-18836.0" y2="5422.0" formalCharge="1"/> <atom id="L-ARGININO-SUCCINATE-atom11" elementType="C" x2="6651.0" y2="-20513.0"/> <atom id="L-ARGININO-SUCCINATE-atom12" elementType="C" x2="-11011.0" y2="-7657.0"/> <atom id="L-ARGININO-SUCCINATE-atom13" elementType="C" x2="19283.0" y2="-21295.0"/> <atom id="L-ARGININO-SUCCINATE-atom14" elementType="N" x2="11682.0" y2="-3857.0"/> <atom id="L-ARGININO-SUCCINATE-atom15" elementType="O" x2="-838.0" y2="-24090.0"/> <atom id="L-ARGININO-SUCCINATE-atom16" elementType="C" x2="25991.0" y2="-25320.0"/> <atom id="L-ARGININO-SUCCINATE-atom17" elementType="O" x2="6651.0" y2="-12241.0" formalCharge="-1"/> <atom id="L-ARGININO-SUCCINATE-atom18" elementType="C" x2="4080.0" y2="-7769.0"/> <atom id="L-ARGININO-SUCCINATE-atom19" elementType="O" x2="-33592.0" y2="-3969.0" formalCharge="-1"/> <atom id="L-ARGININO-SUCCINATE-atom20" elementType="C" x2="-2851.0" y2="-3410.0"/> <bond id="L-ARGININO-SUCCINATE-bond1" atomRefs="L-ARGININO-SUCCINATE-atom20 L-ARGININO-SUCCINATE-atom18" order="1"/> <bond id="L-ARGININO-SUCCINATE-bond2" atomRefs="L-ARGININO-SUCCINATE-atom19 L-ARGININO-SUCCINATE-atom5" order="1"/> <bond id="L-ARGIN…

CHEBI CHEBI:16332
structure data: InChI%3D1S%2FC5H11O8P%2Fc6-1-3%287%295%289%294%288%292-13-14%2810%2C11%2912%2Fh4-6%2C8-9H%2C1-2H2%2C%28H2%2C10%2C11%2C12%29%2Ft4-%2C5-%2Fm1%2Fs1

biopax-level3ChemicalStructure141146
structure data: <atom id="CPD0-1080-atom1" elementType="C" x2="325650.0" y2="1750.0"/> <atom id="CPD0-1080-atom2" elementType="O" x2="214300.0" y2="0.0"/> <atom id="CPD0-1080-atom3" elementType="O" x2="0.0" y2="-371200.0"/> <atom id="CPD0-1080-atom4" elementType="O" x2="285800.0" y2="-288800.0"/> <atom id="CPD0-1080-atom5" elementType="O" x2="0.0" y2="-123800.0"/> <atom id="CPD0-1080-atom6" elementType="O" x2="142900.0" y2="-41200.0"/> <atom id="CPD0-1080-atom7" elementType="C" x2="0.0" y2="-288800.0"/> <atom id="CPD0-1080-atom8" elementType="N" x2="285800.0" y2="-123800.0"/> <atom id="CPD0-1080-atom9" elementType="O" x2="142900.0" y2="-288800.0"/> <atom id="CPD0-1080-atom10" elementType="C" x2="285800.0" y2="-41200.0"/> <atom id="CPD0-1080-atom11" elementType="C" x2="214300.0" y2="-247500.0"/> <atom id="CPD0-1080-atom12" elementType="C" x2="71400.0" y2="-247500.0"/> <atom id="CPD0-1080-atom13" elementType="C" x2="71400.0" y2="-165000.0"/> <atom id="CPD0-1080-atom14" elementType="C" x2="142900.0" y2="-123800.0"/> <atom id="CPD0-1080-atom15" elementType="C" x2="214300.0" y2="-165000.0"/> <atom id="CPD0-1080-atom16" elementType="C" x2="357250.0" y2="-330050.0"/> <atom id="CPD0-1080-atom17" elementType="O" x2="428690.0" y2="-453800.0"/> <atom id="CPD0-1080-atom18" elementType="C" x2="357250.0" y2="-412550.0"/> <atom id="CPD0-1080-atom19" elementType="C" x2="428690.0" y2="-288800.0"/> <atom id="CPD0-1080-atom20" elementType="C" x2="500140.0" y2="-330050.0"/> <atom id="CPD0-1080-atom21" elementType="C" x2="500140.0" y2="-412550.0"/> <atom id="CPD0-1080-atom22" elementType="C" x2="357250.0" y2="-495050.0"/> <atom id="CPD0-1080-atom23" elementType="O" x2="500140.0" y2="-495050.0"/> <atom id="CPD0-1080-atom24" elementType="N" x2="558480.0" y2="-271710.0"/> <atom id="CPD0-1080-atom25" elementType="O" x2="428690.0" y2="-206300.0"/> <atom id="CPD0-1080-atom26" elementType="C" x2="558480.0" y2="-189210.0"/> <atom id="CPD0-1080-atom27" elementType="C" x2="677060.0" y2="-189210.0"/> <atom id="CP…

CHEBI CHEBI:24996
structure data: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1

biopax-level3ChemicalStructure169543
structure data: <atom id="CALCITRIOL-atom1" elementType="C" x2="2858.0" y2="-1650.0"/> <atom id="CALCITRIOL-atom2" elementType="C" x2="3556.0" y2="-6740.0"/> <atom id="CALCITRIOL-atom3" elementType="C" x2="5998.0" y2="-3760.0"/> <atom id="CALCITRIOL-atom4" elementType="C" x2="7112.0" y2="-4506.0"/> <atom id="CALCITRIOL-atom5" elementType="C" x2="2858.0" y2="-5775.0"/> <atom id="CALCITRIOL-atom6" elementType="O" x2="0.0" y2="0.0"/> <atom id="CALCITRIOL-atom7" elementType="O" x2="2858.0" y2="0.0"/> <atom id="CALCITRIOL-atom8" elementType="O" x2="6734.0" y2="-3840.0"/> <atom id="CALCITRIOL-atom9" elementType="C" x2="1429.0" y2="-4950.0"/> <atom id="CALCITRIOL-atom10" elementType="C" x2="5045.0" y2="-5240.0"/> <atom id="CALCITRIOL-atom11" elementType="C" x2="1429.0" y2="-4125.0"/> <atom id="CALCITRIOL-atom12" elementType="C" x2="4722.0" y2="-6000.0"/> <atom id="CALCITRIOL-atom13" elementType="C" x2="3642.0" y2="-3870.0"/> <atom id="CALCITRIOL-atom14" elementType="C" x2="4127.0" y2="-4538.0"/> <atom id="CALCITRIOL-atom15" elementType="C" x2="5870.0" y2="-5244.0"/> <atom id="CALCITRIOL-atom16" elementType="C" x2="2143.0" y2="-5362.0"/> <atom id="CALCITRIOL-atom17" elementType="C" x2="714.0" y2="-1238.0"/> <atom id="CALCITRIOL-atom18" elementType="C" x2="1429.0" y2="0.0"/> <atom id="CALCITRIOL-atom19" elementType="C" x2="1429.0" y2="-2475.0"/> <atom id="CALCITRIOL-atom20" elementType="C" x2="2143.0" y2="-2888.0"/> <atom id="CALCITRIOL-atom21" elementType="C" x2="2143.0" y2="-1238.0"/> <atom id="CALCITRIOL-atom22" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CALCITRIOL-atom23" elementType="C" x2="2143.0" y2="-3712.0"/> <atom id="CALCITRIOL-atom24" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CALCITRIOL-atom25" elementType="C" x2="3898.0" y2="-5990.0"/> <atom id="CALCITRIOL-atom26" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CALCITRIOL-atom27" elementType="C" x2="2858.0" y2="-4125.0"/> <atom id="CALCITRIOL-atom28" elementType="C" x2="3642.0" y2="-5205.0"/> <atom id="CA…

biopax-level3ChemicalStructure163420
structure data: <atom id="METHYLENE-THF-atom1" elementType="C" x2="4.2868e+7" y2="-2.4751e+7"/> <atom id="METHYLENE-THF-atom2" elementType="O" x2="4.2868e+7" y2="-3.3e+7"/> <atom id="METHYLENE-THF-atom3" elementType="C" x2="3.5724e+7" y2="-1.2375e+7"/> <atom id="METHYLENE-THF-atom4" elementType="C" x2="2.8579e+7" y2="-2.4751e+7"/> <atom id="METHYLENE-THF-atom5" elementType="C" x2="2.8579e+7" y2="-8250000.0"/> <atom id="METHYLENE-THF-atom6" elementType="C" x2="2.1434e+7" y2="-2.0625998e+7"/> <atom id="METHYLENE-THF-atom7" elementType="C" x2="2.1434e+7" y2="-1.2375e+7"/> <atom id="METHYLENE-THF-atom8" elementType="C" x2="3.5724e+7" y2="-2.0625e+7"/> <atom id="METHYLENE-THF-atom9" elementType="C" x2="6.4303004e+7" y2="-2.0624002e+7"/> <atom id="METHYLENE-THF-atom10" elementType="C" x2="6.4304e+7" y2="-4.5373e+7"/> <atom id="METHYLENE-THF-atom11" elementType="O" x2="6.4302e+7" y2="-1.2374001e+7"/> <atom id="METHYLENE-THF-atom12" elementType="C" x2="5.7158e+7" y2="-2.475e+7"/> <atom id="METHYLENE-THF-atom13" elementType="O" x2="5.7159e+7" y2="-4.9499e+7"/> <atom id="METHYLENE-THF-atom14" elementType="C" x2="5.7158e+7" y2="-3.2999e+7"/> <atom id="METHYLENE-THF-atom15" elementType="C" x2="6.4303004e+7" y2="-3.7123e+7"/> <atom id="METHYLENE-THF-atom16" elementType="O" x2="7.1446e+7" y2="-2.4748002e+7" formalCharge="-1"/> <atom id="METHYLENE-THF-atom17" elementType="N" x2="5.0013e+7" y2="-2.0625e+7"/> <atom id="METHYLENE-THF-atom18" elementType="O" x2="7.1448e+7" y2="-4.9498e+7" formalCharge="-1"/> <atom id="METHYLENE-THF-atom19" elementType="C" x2="0.0" y2="-8250000.0"/> <atom id="METHYLENE-THF-atom20" elementType="C" x2="1.4289e+7" y2="0.0"/> <atom id="METHYLENE-THF-atom21" elementType="N" x2="1.4289e+7" y2="-8250000.0"/> <atom id="METHYLENE-THF-atom22" elementType="C" x2="7145000.0" y2="4125000.0"/> <atom id="METHYLENE-THF-atom23" elementType="N" x2="0.0" y2="0.0"/> <atom id="METHYLENE-THF-atom24" elementType="C" x2="-7146000.0" y2="1.2375e+7"/> <atom id="METHYLENE-THF-atom25" elementTyp…

biopax-level3ChemicalStructure150441
structure data: <cml> <molecule id="Dermatan-NAcGal-46-disulfates" title="[dermatan]-4,6-di-O-sulfo-N-acetyl-D-galactosamine" formalCharge="-2" dictRef="dictDermatan-NAcGal-46-disulfates"> <atomArray> <atom id="Dermatan-NAcGal-46-disulfates-atom1" elementType="S" x2="1457.0" y2="1208.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom2" elementType="O" x2="1684.0" y2="1315.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom3" elementType="O" x2="1683.0" y2="1044.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom4" elementType="O" x2="1825.0" y2="1045.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom5" elementType="O" x2="1541.0" y2="1208.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom6" elementType="O" x2="1752.0" y2="1333.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom7" elementType="O" x2="1457.0" y2="1290.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom8" elementType="O" x2="1457.0" y2="1125.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom9" elementType="O" x2="1376.0" y2="1208.0" formalCharge="-1"/> <atom id="Dermatan-NAcGal-46-disulfates-atom10" elementType="N" x2="1825.0" y2="1208.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom11" elementType="C" x2="1684.0" y2="1209.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom12" elementType="C" x2="1755.0" y2="1168.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom13" elementType="C" x2="1612.0" y2="1167.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom14" elementType="C" x2="1755.0" y2="1085.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom15" elementType="C" x2="1612.0" y2="1085.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom16" elementType="C" x2="1541.0" y2="1044.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom17" elementType="C" x2="1825.0" y2="1291.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom18" elementType="C" x2="1897.0" y2="1332.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom19" elementType="R2" x2="1613.0" y2="1356.0"/> <atom id="Dermatan-NAcGal-46-disulfates-atom20" elementType="R1" x2="1825.0" y2="963.0"/> <atom…

CHEBI CHEBI:5658
structure data: InChI%3D1S%2FC31H62O%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31%2832%2930-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh3-30H2%2C1-2H3

biopax-level3ChemicalStructure173645
structure data: <cml> <molecule id="3b-hydroxy-D5-steroids" title="a 3beta-hydroxy-delta5-steroid" formalCharge="0" dictRef="dict3b-hydroxy-D5-steroids"> <atomArray> <atom id="3b-hydroxy-D5-steroids-atom1" elementType="C" x2="3637.0" y2="-3500.0"/> <atom id="3b-hydroxy-D5-steroids-atom2" elementType="C" x2="7275.0" y2="-5600.0"/> <atom id="3b-hydroxy-D5-steroids-atom3" elementType="O" x2="0.0" y2="0.0"/> <atom id="3b-hydroxy-D5-steroids-atom4" elementType="R" x2="9039.0" y2="-5964.0"/> <atom id="3b-hydroxy-D5-steroids-atom5" elementType="C" x2="4850.0" y2="0.0"/> <atom id="3b-hydroxy-D5-steroids-atom6" elementType="C" x2="6062.0" y2="-700.0"/> <atom id="3b-hydroxy-D5-steroids-atom7" elementType="C" x2="9429.0" y2="-3500.0"/> <atom id="3b-hydroxy-D5-steroids-atom8" elementType="C" x2="1212.0" y2="-2100.0"/> <atom id="3b-hydroxy-D5-steroids-atom9" elementType="C" x2="8606.0" y2="-2367.0"/> <atom id="3b-hydroxy-D5-steroids-atom10" elementType="C" x2="4850.0" y2="-4200.0"/> <atom id="3b-hydroxy-D5-steroids-atom11" elementType="C" x2="2425.0" y2="-2800.0"/> <atom id="3b-hydroxy-D5-steroids-atom12" elementType="C" x2="6062.0" y2="-4900.0"/> <atom id="3b-hydroxy-D5-steroids-atom13" elementType="C" x2="2425.0" y2="0.0"/> <atom id="3b-hydroxy-D5-steroids-atom14" elementType="C" x2="3637.0" y2="-700.0"/> <atom id="3b-hydroxy-D5-steroids-atom15" elementType="C" x2="1212.0" y2="-700.0"/> <atom id="3b-hydroxy-D5-steroids-atom16" elementType="C" x2="8606.0" y2="-4633.0"/> <atom id="3b-hydroxy-D5-steroids-atom17" elementType="C" x2="6062.0" y2="-2100.0"/> <atom id="3b-hydroxy-D5-steroids-atom18" elementType="C" x2="4850.0" y2="-2800.0"/> <atom id="3b-hydroxy-D5-steroids-atom19" elementType="C" x2="7275.0" y2="-2800.0"/> <atom id="3b-hydroxy-D5-steroids-atom20" elementType="C" x2="3637.0" y2="-2100.0"/> <atom id="3b-hydroxy-D5-steroids-atom21" elementType="C" x2="7275.0" y2="-4200.0"/> </atomArray> <bondArray> <bond id="3b-hydroxy-D5-steroids-bond1" atomRefs="3b-hydroxy-D5-steroids-atom19 3b-hydro…

biopax-level3ChemicalStructure126421
structure data: <atom id="GLY-atom1" elementType="C" x2="-3586.0" y2="-2480.0"/> <atom id="GLY-atom2" elementType="N" x2="10724.0" y2="-2444.0" formalCharge="1"/> <atom id="GLY-atom3" elementType="O" x2="-10759.0" y2="1659.0"/> <atom id="GLY-atom4" elementType="O" x2="-3586.0" y2="-10759.0" formalCharge="-1"/> <atom id="GLY-atom5" elementType="C" x2="3551.0" y2="1659.0"/> <bond id="GLY-bond1" atomRefs="GLY-atom5 GLY-atom1" order="1"/> <bond id="GLY-bond2" atomRefs="GLY-atom4 GLY-atom1" order="1"/> <bond id="GLY-bond3" atomRefs="GLY-atom3 GLY-atom1" order="2"/> <bond id="GLY-bond4" atomRefs="GLY-atom2 GLY-atom5" order="1"/> <formula concise="H 5 O 2 N 1 C 2"/> 75.067 C(=O)([O-])C[N+]

biopax-level3ChemicalStructure142555
structure data: <atom id="Dermatan-sulfate-disaccharides-atom1" elementType="O" x2="-22568.0" y2="-50827.0"/> <atom id="Dermatan-sulfate-disaccharides-atom2" elementType="C" x2="-29713.0" y2="-46702.0"/> <atom id="Dermatan-sulfate-disaccharides-atom3" elementType="C" x2="-29713.0" y2="-38452.0"/> <atom id="Dermatan-sulfate-disaccharides-atom4" elementType="C" x2="-22568.0" y2="-34327.0"/> <atom id="Dermatan-sulfate-disaccharides-atom5" elementType="C" x2="-15424.0" y2="-38452.0"/> <atom id="Dermatan-sulfate-disaccharides-atom6" elementType="C" x2="-15424.0" y2="-46702.0"/> <atom id="Dermatan-sulfate-disaccharides-atom7" elementType="O" x2="-22568.0" y2="-22820.0"/> <atom id="Dermatan-sulfate-disaccharides-atom8" elementType="C" x2="-31892.0" y2="-13845.0"/> <atom id="Dermatan-sulfate-disaccharides-atom9" elementType="O" x2="-39036.0" y2="-17970.0"/> <atom id="Dermatan-sulfate-disaccharides-atom10" elementType="C" x2="-46181.0" y2="-13845.0"/> <atom id="Dermatan-sulfate-disaccharides-atom11" elementType="C" x2="-46181.0" y2="-5595.0"/> <atom id="Dermatan-sulfate-disaccharides-atom12" elementType="C" x2="-39036.0" y2="-1470.0"/> <atom id="Dermatan-sulfate-disaccharides-atom13" elementType="C" x2="-31892.0" y2="-5595.0"/> <atom id="Dermatan-sulfate-disaccharides-atom14" elementType="O" x2="-8279.0" y2="-50827.0"/> <atom id="Dermatan-sulfate-disaccharides-atom15" elementType="N" x2="-8279.0" y2="-34327.0"/> <atom id="Dermatan-sulfate-disaccharides-atom16" elementType="O" x2="-24747.0" y2="-1470.0"/> <atom id="Dermatan-sulfate-disaccharides-atom17" elementType="O" x2="-53326.0" y2="-1470.0"/> <atom id="Dermatan-sulfate-disaccharides-atom18" elementType="C" x2="-53326.0" y2="-17970.0"/> <atom id="Dermatan-sulfate-disaccharides-atom19" elementType="O" x2="-39036.0" y2="6780.0"/> <atom id="Dermatan-sulfate-disaccharides-atom20" elementType="O" x2="-36858.0" y2="-34327.0"/> <atom id="Dermatan-sulfate-disaccharides-atom21" elementType="C" x2="-36858.0" y2="-50827.0"/> <atom id="Dermatan-sulf…

CHEBI CHEBI:10980
structure data: InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6%282-4-7%295-8%2811%299%2812%2913%2Fh1-4%2C8%2C10-11H%2C5H2%2C%28H%2C12%2C13%29%2Fp-1%2Ft8-%2Fm1%2Fs1

biopax-level3ChemicalStructure134351
structure data: <atom id="ENOL-PHENYLPYRUVATE-atom1" elementType="C" x2="2364.0" y2="412.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom2" elementType="C" x2="3079.0" y2="825.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom3" elementType="C" x2="2364.0" y2="-412.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom4" elementType="C" x2="3079.0" y2="1650.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom5" elementType="O" x2="3793.0" y2="412.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom6" elementType="C" x2="1650.0" y2="-825.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom7" elementType="C" x2="3079.0" y2="-825.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom8" elementType="O" x2="3793.0" y2="2062.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom9" elementType="O" x2="2364.0" y2="2062.0" formalCharge="-1"/> <atom id="ENOL-PHENYLPYRUVATE-atom10" elementType="C" x2="1650.0" y2="-1650.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom11" elementType="C" x2="3079.0" y2="-1650.0"/> <atom id="ENOL-PHENYLPYRUVATE-atom12" elementType="C" x2="2364.0" y2="-2062.0"/> <bond id="ENOL-PHENYLPYRUVATE-bond1" atomRefs="ENOL-PHENYLPYRUVATE-atom1 ENOL-PHENYLPYRUVATE-atom2" order="2"/> <bond id="ENOL-PHENYLPYRUVATE-bond2" atomRefs="ENOL-PHENYLPYRUVATE-atom1 ENOL-PHENYLPYRUVATE-atom3" order="1"/> <bond id="ENOL-PHENYLPYRUVATE-bond3" atomRefs="ENOL-PHENYLPYRUVATE-atom2 ENOL-PHENYLPYRUVATE-atom4" order="1"/> <bond id="ENOL-PHENYLPYRUVATE-bond4" atomRefs="ENOL-PHENYLPYRUVATE-atom2 ENOL-PHENYLPYRUVATE-atom5" order="1"/> <bond id="ENOL-PHENYLPYRUVATE-bond5" atomRefs="ENOL-PHENYLPYRUVATE-atom3 ENOL-PHENYLPYRUVATE-atom6" order="2"/> <bond id="ENOL-PHENYLPYRUVATE-bond6" atomRefs="ENOL-PHENYLPYRUVATE-atom3 ENOL-PHENYLPYRUVATE-atom7" order="1"/> <bond id="ENOL-PHENYLPYRUVATE-bond7" atomRefs="ENOL-PHENYLPYRUVATE-atom4 ENOL-PHENYLPYRUVATE-atom8" order="2"/> <bond id="ENOL-PHENYLPYRUVATE-bond8" atomRefs="ENOL-PHENYLPYRUVATE-atom4 ENOL-PHENYLPYRUVATE-atom9" order="1"/> <bond id="ENOL-PHENYLPYRUVATE-bond9" atomRefs="ENOL-PHENYLPYRUVATE-atom6 ENOL-PHENYLPYRUVATE-atom10" order="1"/> <bond id="ENOL-PHENYLP…

biopax-level3ChemicalStructure130106
structure data: <atom id="NADPH-atom1" elementType="O" x2="53130.0" y2="-33049.0"/> <atom id="NADPH-atom2" elementType="O" x2="72891.0" y2="-13253.0"/> <atom id="NADPH-atom3" elementType="O" x2="53105.0" y2="-16639.0" formalCharge="-1"/> <atom id="NADPH-atom4" elementType="C" x2="99778.0" y2="-47867.0"/> <atom id="NADPH-atom5" elementType="C" x2="67454.0" y2="-30291.0"/> <atom id="NADPH-atom6" elementType="N" x2="94969.0" y2="-54609.0"/> <atom id="NADPH-atom7" elementType="N" x2="79875.0" y2="-39567.0"/> <atom id="NADPH-atom8" elementType="O" x2="61335.0" y2="-24826.0"/> <atom id="NADPH-atom9" elementType="O" x2="81839.0" y2="-32502.0"/> <atom id="NADPH-atom10" elementType="C" x2="72769.0" y2="-43761.0"/> <atom id="NADPH-atom11" elementType="C" x2="79875.0" y2="-56161.0"/> <atom id="NADPH-atom12" elementType="C" x2="87072.0" y2="-52058.0"/> <atom id="NADPH-atom13" elementType="C" x2="87072.0" y2="-43761.0"/> <atom id="NADPH-atom14" elementType="C" x2="75247.0" y2="-27725.0"/> <atom id="NADPH-atom15" elementType="C" x2="77737.0" y2="-19874.0"/> <atom id="NADPH-atom16" elementType="C" x2="85987.0" y2="-19874.0"/> <atom id="NADPH-atom17" elementType="C" x2="88524.0" y2="-27725.0"/> <atom id="NADPH-atom18" elementType="N" x2="72769.0" y2="-52058.0"/> <atom id="NADPH-atom19" elementType="N" x2="94949.0" y2="-41282.0"/> <atom id="NADPH-atom20" elementType="P" x2="53121.0" y2="-24844.0"/> <atom id="NADPH-atom21" elementType="N" x2="79852.0" y2="-64411.0"/> <atom id="NADPH-atom22" elementType="O" x2="44916.0" y2="-24844.0"/> <atom id="NADPH-atom23" elementType="O" x2="36666.0" y2="-33112.0"/> <atom id="NADPH-atom24" elementType="O" x2="36641.0" y2="-16612.0" formalCharge="-1"/> <atom id="NADPH-atom25" elementType="P" x2="36657.0" y2="-24862.0"/> <atom id="NADPH-atom26" elementType="O" x2="90842.0" y2="-13204.0"/> <atom id="NADPH-atom27" elementType="P" x2="99092.0" y2="-13204.0"/> <atom id="NADPH-atom28" elementType="O" x2="99092.0" y2="-21454.0"/> <atom id="NADPH-atom29" elementType="O" x…

CHEBI CHEBI:63164
structure data: InChI%3D1S%2FC18H22O4%2Fc1-3-4-5-6-7-8-9-10-11-12-15-13-17%2821-2%2916%2814-19%2918%2820%2922-15%2Fh3-6%2C11-14H%2C7-10H2%2C1-2H3%2Fb4-3%2B%2C6-5%2B%2C12-11%2B

CHEBI CHEBI:38358
structure data: InChI%3D1S%2FC6H8O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H%2C1H3%2C%28H%2C7%2C8%29%2Fb3-2%2B%2C5-4%2B

CHEBI CHEBI:50615
structure data: InChI%3D1S%2FC5H8N2O2%2Fc6-3-4%287%291-2-5%288%299%2Fh4H%2C1-2%2C7H2%2C%28H%2C8%2C9%29%2Ft4-%2Fm1%2Fs1

CHEBI CHEBI:16016
structure data: InChI%3D1S%2FC3H6O3%2Fc4-1-3%286%292-5%2Fh4-5H%2C1-2H2

CHEBI CHEBI:15882
structure data: InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H

biopax-level3ChemicalStructure152011
structure data: <atom id="CPD-8122-atom1" elementType="C" x2="-97300.0" y2="-630.0"/> <atom id="CPD-8122-atom2" elementType="C" x2="-97300.0" y2="81880.0"/> <atom id="CPD-8122-atom3" elementType="C" x2="45590.0" y2="-630.0"/> <atom id="CPD-8122-atom4" elementType="C" x2="45590.0" y2="81880.0"/> <atom id="CPD-8122-atom5" elementType="C" x2="-240200.0" y2="81880.0"/> <atom id="CPD-8122-atom6" elementType="C" x2="188480.0" y2="-630.0"/> <atom id="CPD-8122-atom7" elementType="C" x2="188480.0" y2="81880.0"/> <atom id="CPD-8122-atom8" elementType="C" x2="259930.0" y2="123130.0"/> <atom id="CPD-8122-atom9" elementType="N" x2="-240200.0" y2="-630.0"/> <atom id="CPD-8122-atom10" elementType="N" x2="-168750.0" y2="123130.0"/> <atom id="CPD-8122-atom11" elementType="C" x2="-168750.0" y2="-41880.0"/> <atom id="CPD-8122-atom12" elementType="O" x2="-168750.0" y2="-124380.0"/> <atom id="CPD-8122-atom13" elementType="N" x2="-311640.0" y2="123130.0"/> <atom id="CPD-8122-atom14" elementType="N" x2="-25860.0" y2="-41880.0"/> <atom id="CPD-8122-atom15" elementType="N" x2="-25860.0" y2="123130.0"/> <atom id="CPD-8122-atom16" elementType="O" x2="117040.0" y2="123130.0"/> <atom id="CPD-8122-atom17" elementType="C" x2="117040.0" y2="-41880.0"/> <atom id="CPD-8122-atom18" elementType="S" x2="117040.0" y2="-124380.0"/> <atom id="CPD-8122-atom19" elementType="S" x2="259930.0" y2="-41880.0" formalCharge="-1"/> <atom id="CPD-8122-atom20" elementType="O" x2="331380.0" y2="81880.0"/> <atom id="CPD-8122-atom21" elementType="O" x2="474270.0" y2="81880.0"/> <atom id="CPD-8122-atom22" elementType="P" x2="402820.0" y2="123130.0"/> <atom id="CPD-8122-atom23" elementType="P" x2="532610.0" y2="127710.0"/> <atom id="CPD-8122-atom24" elementType="O" x2="402820.0" y2="40630.0" formalCharge="-1"/> <atom id="CPD-8122-atom25" elementType="O" x2="402820.0" y2="205630.0"/> <atom id="CPD-8122-atom26" elementType="O" x2="532610.0" y2="45210.0" formalCharge="-1"/> <atom id="CPD-8122-atom27" elementType="O" x2="532610.0" y2="210210…

biopax-level3ChemicalStructure142195
structure data: <atom id="MALTOHEXAOSE-atom1" elementType="C" x2="-12770.0" y2="-17563.0"/> <atom id="MALTOHEXAOSE-atom2" elementType="C" x2="-12770.0" y2="-9312.0"/> <atom id="MALTOHEXAOSE-atom3" elementType="C" x2="-5625.0" y2="-5187.0"/> <atom id="MALTOHEXAOSE-atom4" elementType="C" x2="1520.0" y2="-9312.0"/> <atom id="MALTOHEXAOSE-atom5" elementType="C" x2="1520.0" y2="-17563.0"/> <atom id="MALTOHEXAOSE-atom6" elementType="C" x2="-19914.0" y2="-21688.0"/> <atom id="MALTOHEXAOSE-atom7" elementType="O" x2="-5625.0" y2="-21688.0"/> <atom id="MALTOHEXAOSE-atom8" elementType="O" x2="-19914.0" y2="-29938.0"/> <atom id="MALTOHEXAOSE-atom9" elementType="O" x2="-5625.0" y2="3063.0"/> <atom id="MALTOHEXAOSE-atom10" elementType="O" x2="8664.0" y2="-5187.0"/> <atom id="MALTOHEXAOSE-atom11" elementType="O" x2="-19914.0" y2="-5187.0"/> <atom id="MALTOHEXAOSE-atom12" elementType="C" x2="-41347.0" y2="-1062.0"/> <atom id="MALTOHEXAOSE-atom13" elementType="C" x2="-41347.0" y2="7189.0"/> <atom id="MALTOHEXAOSE-atom14" elementType="C" x2="-34203.0" y2="11313.0"/> <atom id="MALTOHEXAOSE-atom15" elementType="C" x2="-27058.0" y2="7189.0"/> <atom id="MALTOHEXAOSE-atom16" elementType="C" x2="-27058.0" y2="-1062.0"/> <atom id="MALTOHEXAOSE-atom17" elementType="C" x2="-48491.0" y2="-5187.0"/> <atom id="MALTOHEXAOSE-atom18" elementType="O" x2="-34203.0" y2="-5187.0"/> <atom id="MALTOHEXAOSE-atom19" elementType="O" x2="-48491.0" y2="-13437.0"/> <atom id="MALTOHEXAOSE-atom20" elementType="O" x2="-34203.0" y2="19563.0"/> <atom id="MALTOHEXAOSE-atom21" elementType="O" x2="-19914.0" y2="11313.0"/> <atom id="MALTOHEXAOSE-atom22" elementType="O" x2="-48491.0" y2="11313.0"/> <atom id="MALTOHEXAOSE-atom23" elementType="C" x2="-69924.0" y2="15438.0"/> <atom id="MALTOHEXAOSE-atom24" elementType="C" x2="-69924.0" y2="23689.0"/> <atom id="MALTOHEXAOSE-atom25" elementType="C" x2="-62780.0" y2="27814.0"/> <atom id="MALTOHEXAOSE-atom26" elementType="C" x2="-55635.0" y2="23689.0"/> <atom id="MALTOHEXAOSE-atom27" elementT…

biopax-level3ChemicalStructure160111
structure data: <atom id="CPD-5168-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5168-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5168-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5168-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5168-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5168-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5168-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5168-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5168-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5168-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5168-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5168-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5168-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5168-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5168-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5168-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5168-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5168-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5168-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5168-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5168-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5168-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5168-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5168-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5168-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5168-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5168-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

CHEBI CHEBI:28842
structure data: InChI%3D1S%2FC18H36O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh2-17H2%2C1H3%2C%28H%2C19%2C20%29

CHEBI CHEBI:35686
structure data: InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3%2Ft4-%2Fm1%2Fs1

CHEBI CHEBI:23808
structure data: InChI%3D1S%2FC2H7AsO%2Fc1-3%282%294%2Fh4H%2C1-2H3

biopax-level3ChemicalStructure174040
structure data: <atom id="CPD1G-69-atom1" elementType="C" x2="-42133.0" y2="-15911.0"/> <atom id="CPD1G-69-atom2" elementType="C" x2="-34988.0" y2="-20036.0"/> <atom id="CPD1G-69-atom3" elementType="C" x2="-27844.0" y2="-15911.0"/> <atom id="CPD1G-69-atom4" elementType="C" x2="-20699.0" y2="-20036.0"/> <atom id="CPD1G-69-atom5" elementType="C" x2="-13554.0" y2="-15911.0"/> <atom id="CPD1G-69-atom6" elementType="C" x2="-6410.0" y2="-20036.0"/> <atom id="CPD1G-69-atom7" elementType="C" x2="734.0" y2="-15911.0"/> <atom id="CPD1G-69-atom8" elementType="C" x2="7879.0" y2="-20036.0"/> <atom id="CPD1G-69-atom9" elementType="C" x2="15023.0" y2="-15911.0"/> <atom id="CPD1G-69-atom10" elementType="C" x2="22167.0" y2="-20036.0"/> <atom id="CPD1G-69-atom11" elementType="C" x2="29312.0" y2="-15911.0"/> <atom id="CPD1G-69-atom12" elementType="C" x2="29312.0" y2="-7661.0"/> <atom id="CPD1G-69-atom13" elementType="C" x2="36458.0" y2="-3536.0"/> <atom id="CPD1G-69-atom14" elementType="C" x2="43602.0" y2="-7661.0"/> <atom id="CPD1G-69-atom15" elementType="C" x2="36458.0" y2="4714.0"/> <atom id="CPD1G-69-atom16" elementType="C" x2="30624.0" y2="10548.0"/> <atom id="CPD1G-69-atom17" elementType="C" x2="23479.0" y2="6423.0"/> <atom id="CPD1G-69-atom18" elementType="C" x2="16333.0" y2="10548.0"/> <atom id="CPD1G-69-atom19" elementType="C" x2="9190.0" y2="6423.0"/> <atom id="CPD1G-69-atom20" elementType="C" x2="2045.0" y2="10548.0"/> <atom id="CPD1G-69-atom21" elementType="C" x2="-5099.0" y2="6423.0"/> <atom id="CPD1G-69-atom22" elementType="C" x2="-12244.0" y2="10548.0"/> <atom id="CPD1G-69-atom23" elementType="C" x2="-19388.0" y2="6423.0"/> <atom id="CPD1G-69-atom24" elementType="C" x2="16333.0" y2="18797.0"/> <atom id="CPD1G-69-atom25" elementType="C" x2="-12244.0" y2="18797.0"/> <atom id="CPD1G-69-atom26" elementType="C" x2="-26532.0" y2="10548.0"/> <atom id="CPD1G-69-atom27" elementType="C" x2="-33677.0" y2="6423.0"/> <atom id="CPD1G-69-atom28" elementType="C" x2="-40822.0" y2="10548.0"/> <atom id="…

biopax-level3ChemicalStructure132375
structure data: <atom id="GLUTATHIONE-atom1" elementType="N" x2="-36154.0" y2="-23173.0" formalCharge="1"/> <atom id="GLUTATHIONE-atom2" elementType="N" x2="21959.0" y2="-23294.0"/> <atom id="GLUTATHIONE-atom3" elementType="N" x2="485.0" y2="-19412.0"/> <atom id="GLUTATHIONE-atom4" elementType="C" x2="-29239.0" y2="-10798.0"/> <atom id="GLUTATHIONE-atom5" elementType="C" x2="29117.0" y2="-10798.0"/> <atom id="GLUTATHIONE-atom6" elementType="O" x2="-36397.0" y2="-7522.0"/> <atom id="GLUTATHIONE-atom7" elementType="C" x2="29117.0" y2="-19412.0"/> <atom id="GLUTATHIONE-atom8" elementType="O" x2="14923.0" y2="-11404.0"/> <atom id="GLUTATHIONE-atom9" elementType="C" x2="-14438.0" y2="-19412.0"/> <atom id="GLUTATHIONE-atom10" elementType="C" x2="7401.0" y2="-31301.0"/> <atom id="GLUTATHIONE-atom11" elementType="C" x2="-22081.0" y2="-23294.0"/> <atom id="GLUTATHIONE-atom12" elementType="C" x2="-7158.0" y2="-23294.0"/> <atom id="GLUTATHIONE-atom13" elementType="C" x2="7401.0" y2="-23294.0"/> <atom id="GLUTATHIONE-atom14" elementType="S" x2="1213.0" y2="-36397.0"/> <atom id="GLUTATHIONE-atom15" elementType="C" x2="14923.0" y2="-19412.0"/> <atom id="GLUTATHIONE-atom16" elementType="O" x2="21838.0" y2="-7522.0"/> <atom id="GLUTATHIONE-atom17" elementType="O" x2="-21959.0" y2="-7522.0" formalCharge="-1"/> <atom id="GLUTATHIONE-atom18" elementType="O" x2="36276.0" y2="-7401.0" formalCharge="-1"/> <atom id="GLUTATHIONE-atom19" elementType="C" x2="-29239.0" y2="-19412.0"/> <atom id="GLUTATHIONE-atom20" elementType="O" x2="-7158.0" y2="-31180.0"/> <bond id="GLUTATHIONE-bond1" atomRefs="GLUTATHIONE-atom20 GLUTATHIONE-atom12" order="2"/> <bond id="GLUTATHIONE-bond2" atomRefs="GLUTATHIONE-atom19 GLUTATHIONE-atom11" order="1"/> <bond id="GLUTATHIONE-bond3" atomRefs="GLUTATHIONE-atom18 GLUTATHIONE-atom5" order="1"/> <bond id="GLUTATHIONE-bond4" atomRefs="GLUTATHIONE-atom17 GLUTATHIONE-atom4" order="1"/> <bond id="GLUTATHIONE-bond5" atomRefs="GLUTATHIONE-atom16 GLUTATHIONE-atom5" order="2"/> <bond id="G…

biopax-level3ChemicalStructure134154
structure data: <atom id="CPD-7221-atom1" elementType="C" x2="-16287.0" y2="-22951.0"/> <atom id="CPD-7221-atom2" elementType="C" x2="-18614.0" y2="-15810.0"/> <atom id="CPD-7221-atom3" elementType="O" x2="-22474.0" y2="-27445.0"/> <atom id="CPD-7221-atom4" elementType="C" x2="-26333.0" y2="-15810.0"/> <atom id="CPD-7221-atom5" elementType="O" x2="-14065.0" y2="-9676.0"/> <atom id="CPD-7221-atom6" elementType="C" x2="-28661.0" y2="-23056.0"/> <atom id="CPD-7221-atom7" elementType="O" x2="-30141.0" y2="-10417.0"/> <atom id="CPD-7221-atom8" elementType="C" x2="-35800.0" y2="-25276.0"/> <atom id="CPD-7221-atom9" elementType="P" x2="-38180.0" y2="-10470.0"/> <atom id="CPD-7221-atom10" elementType="O" x2="-46058.0" y2="-20359.0"/> <atom id="CPD-7221-atom11" elementType="O" x2="-45635.0" y2="-10259.0" formalCharge="-1"/> <atom id="CPD-7221-atom12" elementType="O" x2="-38232.0" y2="-2856.0" formalCharge="-1"/> <atom id="CPD-7221-atom13" elementType="O" x2="-38813.0" y2="-18719.0"/> <atom id="CPD-7221-atom14" elementType="P" x2="-58801.0" y2="-14965.0"/> <atom id="CPD-7221-atom15" elementType="O" x2="-58801.0" y2="423.0"/> <atom id="CPD-7221-atom16" elementType="O" x2="-58907.0" y2="-22368.0" formalCharge="-1"/> <atom id="CPD-7221-atom17" elementType="O" x2="-66416.0" y2="-15017.0"/> <atom id="CPD-7221-atom18" elementType="P" x2="-58801.0" y2="16076.0"/> <atom id="CPD-7221-atom19" elementType="O" x2="-50553.0" y2="16076.0"/> <atom id="CPD-7221-atom20" elementType="O" x2="-58853.0" y2="24324.0" formalCharge="-1"/> <atom id="CPD-7221-atom21" elementType="O" x2="-66310.0" y2="16076.0"/> <atom id="CPD-7221-atom22" elementType="C" x2="-43466.0" y2="11898.0"/> <atom id="CPD-7221-atom23" elementType="C" x2="-36329.0" y2="16022.0"/> <atom id="CPD-7221-atom24" elementType="C" x2="-29190.0" y2="11844.0"/> <atom id="CPD-7221-atom25" elementType="C" x2="-36329.0" y2="24272.0"/> <atom id="CPD-7221-atom26" elementType="C" x2="-36381.0" y2="7774.0"/> <atom id="CPD-7221-atom27" elementType="C" x2="-22579.…

CHEBI CHEBI:30828
structure data: InChI%3D1S%2FC18H34O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh7-8H%2C2-6%2C9-17H2%2C1H3%2C%28H%2C19%2C20%29%2Fp-1%2Fb8-7%2B

CHEBI CHEBI:53533
structure data: InChI%3D1S%2FC8H12O2%2Fc1-7%286-9%294-3-5-8%282%2910%2Fh3-5%2C9H%2C6H2%2C1-2H3%2Fb5-3%2B%2C7-4%2B

CHEBI CHEBI:62161
structure data: InChI%3D1S%2FC17H33O18P%2Fc18-1-5%2821%299%2823%296%2822%294-31-36%2829%2C30%2935-15-12%2826%2910%2824%297%282-19%2933-17%2815%2934-14-11%2825%298%283-20%2932-16%2828%2913%2814%2927%2Fh5-28H%2C1-4H2%2C%28H%2C29%2C30%29%2Ft5-%2C6%2B%2C7%2B%2C8%2B%2C9-%2C10-%2C11%2B%2C12-%2C13%2B%2C14-%2C15%2B%2C16-%2C17%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure173879
structure data: <atom id="CPD-2751-atom1" elementType="C" x2="2895.0" y2="-398.0"/> <atom id="CPD-2751-atom2" elementType="O" x2="4263.0" y2="-1516.0"/> <atom id="CPD-2751-atom3" elementType="O" x2="1588.0" y2="-2191.0"/> <atom id="CPD-2751-atom4" elementType="C" x2="0.0" y2="-1238.0"/> <atom id="CPD-2751-atom5" elementType="C" x2="0.0" y2="-412.0"/> <atom id="CPD-2751-atom6" elementType="C" x2="714.0" y2="-1650.0"/> <atom id="CPD-2751-atom7" elementType="C" x2="1429.0" y2="-412.0"/> <atom id="CPD-2751-atom8" elementType="C" x2="3121.0" y2="-2539.0"/> <atom id="CPD-2751-atom9" elementType="C" x2="2305.0" y2="-2418.0"/> <atom id="CPD-2751-atom10" elementType="N" x2="714.0" y2="0.0"/> <atom id="CPD-2751-atom11" elementType="C" x2="3489.0" y2="-1800.0"/> <atom id="CPD-2751-atom12" elementType="C" x2="1429.0" y2="-1238.0"/> <atom id="CPD-2751-atom13" elementType="N" x2="2899.0" y2="-1223.0"/> <atom id="CPD-2751-atom14" elementType="C" x2="2168.0" y2="-1605.0"/> <bond id="CPD-2751-bond1" atomRefs="CPD-2751-atom13 CPD-2751-atom14" order="1"/> <bond id="CPD-2751-bond2" atomRefs="CPD-2751-atom12 CPD-2751-atom14" order="1"/> <bond id="CPD-2751-bond3" atomRefs="CPD-2751-atom11 CPD-2751-atom13" order="1"/> <bond id="CPD-2751-bond4" atomRefs="CPD-2751-atom9 CPD-2751-atom14" order="1"/> <bond id="CPD-2751-bond5" atomRefs="CPD-2751-atom8 CPD-2751-atom11" order="1"/> <bond id="CPD-2751-bond6" atomRefs="CPD-2751-atom8 CPD-2751-atom9" order="1"/> <bond id="CPD-2751-bond7" atomRefs="CPD-2751-atom12 CPD-2751-atom7" order="2"/> <bond id="CPD-2751-bond8" atomRefs="CPD-2751-atom7 CPD-2751-atom10" order="1"/> <bond id="CPD-2751-bond9" atomRefs="CPD-2751-atom6 CPD-2751-atom12" order="1"/> <bond id="CPD-2751-bond10" atomRefs="CPD-2751-atom10 CPD-2751-atom5" order="2"/> <bond id="CPD-2751-bond11" atomRefs="CPD-2751-atom4 CPD-2751-atom6" order="2"/> <bond id="CPD-2751-bond12" atomRefs="CPD-2751-atom5 CPD-2751-atom4" order="1"/> <bond id="CPD-2751-bond13" atomRefs="CPD-2751-atom14 CPD-2751-atom3" order="1"/> …

biopax-level3ChemicalStructure131665
structure data: <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom1" elementType="C" x2="38307.0" y2="15962.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom2" elementType="O" x2="26714.0" y2="44188.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom3" elementType="C" x2="35283.0" y2="21842.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom4" elementType="C" x2="-31587.0" y2="16466.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom5" elementType="N" x2="25202.0" y2="2688.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom6" elementType="C" x2="-25706.0" y2="11761.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom7" elementType="C" x2="-44020.0" y2="8065.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom8" elementType="O" x2="-35283.0" y2="23522.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom9" elementType="C" x2="43180.0" y2="-5040.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom10" elementType="O" x2="41836.0" y2="32595.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom11" elementType="N" x2="18146.0" y2="-8569.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom12" elementType="N" x2="24530.0" y2="-21002.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom13" elementType="O" x2="30411.0" y2="11593.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom14" elementType="C" x2="-44188.0" y2="36963.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom15" elementType="O" x2="-8569.0" y2="15289.0" formalCharge="-1"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom16" elementType="C" x2="13609.0" y2="36291.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom17" elementType="C" x2="-35283.0" y2="31923.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom18" elementType="O" x2="1008.0" y2="45364.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom19" elementType="O" x2="-18146.0" y2="6889.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom20" elementType="C" x2="26714.0" y2="35787.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom21" elementType="C" x2="1008.0" y2="36963.0"/> <atom id="TRANS-3-METHYL-GLUTACONYL-COA-atom22" elementT…

biopax-level3ChemicalStructure158711
structure data: <atom id="CPD-4585-atom1" elementType="O" x2="-237490.0" y2="-123130.0"/> <atom id="CPD-4585-atom2" elementType="O" x2="-166050.0" y2="630.0"/> <atom id="CPD-4585-atom3" elementType="C" x2="-166050.0" y2="-81880.0"/> <atom id="CPD-4585-atom4" elementType="C" x2="-287060.0" y2="-192490.0"/> <atom id="CPD-4585-atom5" elementType="C" x2="-305810.0" y2="-85000.0"/> <atom id="CPD-4585-atom6" elementType="C" x2="-308940.0" y2="630.0"/> <atom id="CPD-4585-atom7" elementType="C" x2="-237490.0" y2="38750.0"/> <atom id="CPD-4585-atom8" elementType="O" x2="-335630.0" y2="78690.0"/> <atom id="CPD-4585-atom9" elementType="C" x2="-94660.0" y2="-41660.0"/> <atom id="CPD-4585-atom10" elementType="C" x2="-19360.0" y2="-75370.0"/> <atom id="CPD-4585-atom11" elementType="C" x2="53220.0" y2="-36160.0"/> <atom id="CPD-4585-atom12" elementType="C" x2="123470.0" y2="-79410.0"/> <atom id="CPD-4585-atom13" elementType="C" x2="196050.0" y2="-40200.0"/> <atom id="CPD-4585-atom14" elementType="C" x2="198380.0" y2="42270.0"/> <atom id="CPD-4585-atom15" elementType="C" x2="266300.0" y2="-83450.0"/> <atom id="CPD-4585-atom16" elementType="C" x2="338890.0" y2="-44230.0"/> <atom id="CPD-4585-atom17" elementType="C" x2="410510.0" y2="-85180.0"/> <atom id="CPD-4585-atom18" elementType="C" x2="338530.0" y2="38270.0"/> <atom id="CPD-4585-atom19" elementType="C" x2="409800.0" y2="79820.0"/> <atom id="CPD-4585-atom20" elementType="C" x2="481430.0" y2="38880.0"/> <atom id="CPD-4585-atom21" elementType="C" x2="481780.0" y2="-43620.0"/> <atom id="CPD-4585-atom22" elementType="O" x2="124270.0" y2="-161880.0"/> <atom id="CPD-4585-atom23" elementType="C" x2="194510.0" y2="-205120.0"/> <atom id="CPD-4585-atom24" elementType="O" x2="192180.0" y2="-287590.0"/> <atom id="CPD-4585-atom25" elementType="O" x2="-136450.0" y2="-276230.0"/> <atom id="CPD-4585-atom26" elementType="C" x2="-419880.0" y2="28230.0"/> <atom id="CPD-4585-atom27" elementType="C" x2="-391440.0" y2="-119380.0"/> <atom id="CPD-4585-atom28" element…

CHEBI CHEBI:41847
structure data: InChI%3D1S%2FC39H76O5%2Fc1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38%2841%2943-36-37%2835-40%2944-39%2842%2934-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2%2Fh37%2C40H%2C3-36H2%2C1-2H3%2Ft37-%2Fm0%2Fs1

CHEBI CHEBI:39390
structure data: InChI%3D1S%2FC8H17NO3S%2Fc1-8%282%2C3-4-10%2913-5-6%289%297%2811%2912%2Fh6%2C10H%2C3-5%2C9H2%2C1-2H3%2C%28H%2C11%2C12%29%2Ft6-%2Fm0%2Fs1

CHEBI CHEBI:18657
structure data: InChI%3D1S%2FC15H20O4%2Fc1-10%287-13%2817%2918%295-6-15%2819%2911%282%298-12%2816%299-14%2815%2C3%294%2Fh5-8%2C19H%2C9H2%2C1-4H3%2C%28H%2C17%2C18%29%2Fb6-5%2B%2C10-7%2B%2Ft15-%2Fm0%2Fs1

CHEBI CHEBI:4474
structure data: InChI%3D1S%2FC16H23NO%2Fc1-16-8-4-2-3-5-12%2815%2816%2917%299-11-6-7-13%2818%2910-14%2811%2916%2Fh6-7%2C10%2C12%2C15%2C18H%2C2-5%2C8-9%2C17H2%2C1H3%2Ft12-%2C15-%2C16%2B%2Fm0%2Fs1

CHEBI CHEBI:33227
structure data: InChI%3D1S%2FC9H10O%2Fc10-8-4-7-9-5-2-1-3-6-9%2Fh1-7%2C10H%2C8H2%2Fb7-4%2B

CHEBI CHEBI:6220
structure data: InChI%3D1S%2FC6H13O8P%2Fc1-2-3%287%294%288%295%289%296%2813-2%2914-15%2810%2C11%2912%2Fh2-9H%2C1H3%2C%28H2%2C10%2C11%2C12%29%2Ft2-%2C3%2B%2C4%2B%2C5-%2C6-%2Fm0%2Fs1

biopax-level3ChemicalStructure169289
structure data: <atom id="CPD-4579-atom1" elementType="C" x2="8881.0" y2="-4061.0"/> <atom id="CPD-4579-atom2" elementType="C" x2="7819.0" y2="-3105.0"/> <atom id="CPD-4579-atom3" elementType="C" x2="4805.0" y2="-5386.0"/> <atom id="CPD-4579-atom4" elementType="C" x2="2143.0" y2="-3290.0"/> <atom id="CPD-4579-atom5" elementType="C" x2="4403.0" y2="-4554.0"/> <atom id="CPD-4579-atom6" elementType="O" x2="2174.0" y2="0.0"/> <atom id="CPD-4579-atom7" elementType="O" x2="0.0" y2="-1228.0"/> <atom id="CPD-4579-atom8" elementType="C" x2="7522.0" y2="-4503.0"/> <atom id="CPD-4579-atom9" elementType="C" x2="6715.0" y2="-4331.0"/> <atom id="CPD-4579-atom10" elementType="C" x2="1450.0" y2="-394.0"/> <atom id="CPD-4579-atom11" elementType="C" x2="3572.0" y2="-1640.0"/> <atom id="CPD-4579-atom12" elementType="C" x2="2889.0" y2="-3733.0"/> <atom id="CPD-4579-atom13" elementType="C" x2="6163.0" y2="-4944.0"/> <atom id="CPD-4579-atom14" elementType="C" x2="2857.0" y2="-1228.0"/> <atom id="CPD-4579-atom15" elementType="C" x2="714.0" y2="-2465.0"/> <atom id="CPD-4579-atom16" elementType="C" x2="5102.0" y2="-2654.0"/> <atom id="CPD-4579-atom17" elementType="C" x2="5586.0" y2="-3321.0"/> <atom id="CPD-4579-atom18" elementType="C" x2="3603.0" y2="-4146.0"/> <atom id="CPD-4579-atom19" elementType="C" x2="1428.0" y2="-2878.0"/> <atom id="CPD-4579-atom20" elementType="C" x2="8074.0" y2="-3890.0"/> <atom id="CPD-4579-atom21" elementType="C" x2="3603.0" y2="-2496.0"/> <atom id="CPD-4579-atom22" elementType="C" x2="2889.0" y2="-2909.0"/> <atom id="CPD-4579-atom23" elementType="C" x2="5357.0" y2="-4773.0"/> <atom id="CPD-4579-atom24" elementType="C" x2="714.0" y2="-1640.0"/> <atom id="CPD-4579-atom25" elementType="C" x2="1428.0" y2="-1228.0"/> <atom id="CPD-4579-atom26" elementType="C" x2="4317.0" y2="-2909.0"/> <atom id="CPD-4579-atom27" elementType="C" x2="5102.0" y2="-3988.0"/> <atom id="CPD-4579-atom28" elementType="C" x2="2143.0" y2="-1640.0"/> <atom id="CPD-4579-atom29" elementType="C" x2="2143.0" y2="…

CHEBI CHEBI:17925
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5-%2C6%2B%2Fm1%2Fs1

CHEBI CHEBI:62766
structure data: InChI%3D1S%2FC26H34O9%2Fc1-16%2811-7-13-18%283%2924%2831%2932%299-5-6-10-17%282%2912-8-14-19%284%2925%2833%2935-26-23%2830%2922%2829%2921%2828%2920%2815-27%2934-26%2Fh5-14%2C20-23%2C26-30H%2C15H2%2C1-4H3%2C%28H%2C31%2C32%29%2Fp-1%2Fb6-5%2B%2C11-7%2B%2C12-8%2B%2C16-9%2B%2C17-10%2B%2C18-13%2B%2C19-14%2B%2Ft20-%2C21-%2C22%2B%2C23-%2C26%2B%2Fm1%2Fs1

CHEBI CHEBI:28364
structure data: InChI%3D1S%2FC20H30O2%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20%2821%2922%2Fh3-4%2C6-7%2C9-10%2C12-13%2C15-16H%2C2%2C5%2C8%2C11%2C14%2C17-19H2%2C1H3%2C%28H%2C21%2C22%29%2Fb4-3-%2C7-6-%2C10-9-%2C13-12-%2C16-15-

biopax-level3ChemicalStructure157118
structure data: <atom id="CPD-11552-atom1" elementType="C" x2="-2652.0" y2="-6777.0"/> <atom id="CPD-11552-atom2" elementType="C" x2="-9796.0" y2="-2652.0"/> <atom id="CPD-11552-atom3" elementType="C" x2="-9796.0" y2="5598.0"/> <atom id="CPD-11552-atom4" elementType="C" x2="-2652.0" y2="9723.0"/> <atom id="CPD-11552-atom5" elementType="C" x2="4493.0" y2="5598.0"/> <atom id="CPD-11552-atom6" elementType="C" x2="4493.0" y2="-2652.0"/> <atom id="CPD-11552-atom7" elementType="O" x2="11638.0" y2="-6777.0"/> <atom id="CPD-11552-atom8" elementType="N" x2="-2652.0" y2="-15027.0"/> <atom id="CPD-11552-atom9" elementType="C" x2="-16941.0" y2="-6777.0"/> <atom id="CPD-11552-atom10" elementType="C" x2="-24086.0" y2="-2652.0"/> <atom id="CPD-11552-atom11" elementType="C" x2="-31231.0" y2="-6777.0"/> <atom id="CPD-11552-atom12" elementType="C" x2="-38375.0" y2="-2652.0"/> <atom id="CPD-11552-atom13" elementType="O" x2="-45520.0" y2="-6777.0" formalCharge="-1"/> <atom id="CPD-11552-atom14" elementType="O" x2="-38375.0" y2="5598.0"/> <atom id="CPD-11552-atom15" elementType="O" x2="-31231.0" y2="-15027.0"/> <atom id="CPD-11552-atom16" elementType="O" x2="-16941.0" y2="-15027.0"/> <bond id="CPD-11552-bond1" atomRefs="CPD-11552-atom1 CPD-11552-atom2" order="2"/> <bond id="CPD-11552-bond2" atomRefs="CPD-11552-atom2 CPD-11552-atom3" order="1"/> <bond id="CPD-11552-bond3" atomRefs="CPD-11552-atom3 CPD-11552-atom4" order="2"/> <bond id="CPD-11552-bond4" atomRefs="CPD-11552-atom4 CPD-11552-atom5" order="1"/> <bond id="CPD-11552-bond5" atomRefs="CPD-11552-atom5 CPD-11552-atom6" order="2"/> <bond id="CPD-11552-bond6" atomRefs="CPD-11552-atom1 CPD-11552-atom6" order="1"/> <bond id="CPD-11552-bond7" atomRefs="CPD-11552-atom6 CPD-11552-atom7" order="1"/> <bond id="CPD-11552-bond8" atomRefs="CPD-11552-atom1 CPD-11552-atom8" order="1"/> <bond id="CPD-11552-bond9" atomRefs="CPD-11552-atom2 CPD-11552-atom9" order="1"/> <bond id="CPD-11552-bond10" atomRefs="CPD-11552-atom9 CPD-11552-atom10" order="1"/> <bond id="CP…

CHEBI CHEBI:36190
structure data: InChI%3D1S%2FC20H32O4%2Fc1-2-3-4-5-6-10-13-18-19%2824-18%2916-15-17%2821%2912-9-7-8-11-14-20%2822%2923%2Fh6-7%2C9-10%2C15-19%2C21H%2C2-5%2C8%2C11-14H2%2C1H3%2C%28H%2C22%2C23%29%2Fb9-7-%2C10-6-%2C16-15%2B%2Ft17%3F%2C18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:15936
structure data: InChI%3D1S%2FC5H10O5%2Fc6-1-3%288%295%2810%294%289%292-7%2Fh1%2C3-5%2C7-10H%2C2H2%2Ft3-%2C4%2B%2C5%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure160192
structure data: <atom id="CPD-5161-atom1" elementType="C" x2="287070.0" y2="90000.0"/> <atom id="CPD-5161-atom2" elementType="C" x2="215630.0" y2="131250.0"/> <atom id="CPD-5161-atom3" elementType="C" x2="144180.0" y2="90000.0"/> <atom id="CPD-5161-atom4" elementType="C" x2="215630.0" y2="213750.0"/> <atom id="CPD-5161-atom5" elementType="C" x2="144180.0" y2="7500.0"/> <atom id="CPD-5161-atom6" elementType="C" x2="72730.0" y2="-33750.0"/> <atom id="CPD-5161-atom7" elementType="C" x2="72730.0" y2="-116250.0"/> <atom id="CPD-5161-atom8" elementType="C" x2="144180.0" y2="-157500.0"/> <atom id="CPD-5161-atom9" elementType="C" x2="1280.0" y2="-157500.0"/> <atom id="CPD-5161-atom10" elementType="C" x2="1280.0" y2="-240000.0"/> <atom id="CPD-5161-atom11" elementType="C" x2="-70160.0" y2="-363750.0"/> <atom id="CPD-5161-atom12" elementType="C" x2="-70160.0" y2="-281250.0"/> <atom id="CPD-5161-atom13" elementType="C" x2="1280.0" y2="-405000.0"/> <atom id="CPD-5161-atom14" elementType="C" x2="-141610.0" y2="-405000.0"/> <atom id="CPD-5161-atom15" elementType="C" x2="-427400.0" y2="-735000.0"/> <atom id="CPD-5161-atom16" elementType="C" x2="-355950.0" y2="-776250.0"/> <atom id="CPD-5161-atom17" elementType="C" x2="-498850.0" y2="-776250.0"/> <atom id="CPD-5161-atom18" elementType="C" x2="-427400.0" y2="-652500.0"/> <atom id="CPD-5161-atom19" elementType="C" x2="-213060.0" y2="-528750.0"/> <atom id="CPD-5161-atom20" elementType="C" x2="-141610.0" y2="-487500.0"/> <atom id="CPD-5161-atom21" elementType="C" x2="-213060.0" y2="-611250.0"/> <atom id="CPD-5161-atom22" elementType="C" x2="-141610.0" y2="-652500.0"/> <atom id="CPD-5161-atom23" elementType="C" x2="-284500.0" y2="-652500.0"/> <atom id="CPD-5161-atom24" elementType="C" x2="-355950.0" y2="-611250.0"/> <atom id="CPD-5161-atom25" elementType="C" x2="-641740.0" y2="-776250.0"/> <atom id="CPD-5161-atom26" elementType="C" x2="-570290.0" y2="-735000.0"/> <atom id="CPD-5161-atom27" elementType="C" x2="-641740.0" y2="-858750.0"/> <atom id="CPD-5…

CHEBI CHEBI:52374
structure data: InChI%3D1S%2FC44H89NO5%2Fc1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42%2848%2944%2850%2945-40%2839-46%2943%2849%2941%2847%2937-35-33-31-29-27-16-14-12-10-8-6-4-2%2Fh40-43%2C46-49H%2C3-39H2%2C1-2H3%2C%28H%2C45%2C50%29%2Ft40-%2C41%2B%2C42%3F%2C43-%2Fm0%2Fs1

CHEBI CHEBI:52347
structure data: InChI%3D1S%2FC20H40O3%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19%2821%2918-20%2822%2923%2Fh19%2C21H%2C2-18H2%2C1H3%2C%28H%2C22%2C23%29

CHEBI CHEBI:37051
structure data: InChI%3D1S%2FC5H10O3%2Fc1-3%284%282%296%295%287%298%2Fh3-4%2C6H%2C1-2H3%2C%28H%2C7%2C8%29

CHEBI CHEBI:18357
structure data: InChI%3D1S%2FC8H11NO3%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8%2C10-12H%2C4%2C9H2%2Ft8-%2Fm0%2Fs1

CHEBI CHEBI:15812
structure data: InChI%3D1S%2FC31H55O9P%2Fc1-22%282%2911-7-12-23%283%2913-8-14-24%284%2915-9-16-25%285%2917-10-18-26%286%2919-20-38-41%2836%2C37%2940-31-30%2835%2929%2834%2928%2833%2927%2821-32%2939-31%2Fh11%2C13%2C15%2C17%2C26-35H%2C7-10%2C12%2C14%2C16%2C18-21H2%2C1-6H3%2C%28H%2C36%2C37%29%2Fb23-13%2B%2C24-15%2B%2C25-17-%2Ft26%3F%2C27-%2C28-%2C29%2B%2C30-%2C31%2B%2Fm1%2Fs1

CHEBI CHEBI:28729
structure data: InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2-%2C3-%2C4%2B%2C5%2B%2C6%2B%2Fm1%2Fs1

CHEBI CHEBI:38352
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29%2Fb3-2-

biopax-level3ChemicalStructure166681
structure data: <cml> <molecule id="Aliphatic-Amines" title="an aliphatic amine" formalCharge="1" dictRef="dictAliphatic-Amines"> <atomArray> <atom id="Aliphatic-Amines-atom1" elementType="R" x2="-3294.0" y2="-2093.0"/> <atom id="Aliphatic-Amines-atom2" elementType="C" x2="-2579.0" y2="-1680.0"/> <atom id="Aliphatic-Amines-atom3" elementType="N" x2="-1864.0" y2="-2093.0" formalCharge="1"/> </atomArray> <bondArray> <bond id="Aliphatic-Amines-bond1" atomRefs="Aliphatic-Amines-atom1 Aliphatic-Amines-atom2" order="1"/> <bond id="Aliphatic-Amines-bond2" atomRefs="Aliphatic-Amines-atom2 Aliphatic-Amines-atom3" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">C([N+])[R]</string> </molecule> </cml>

CHEBI CHEBI:42320
structure data: InChI%3D1S%2FC6H13O9P%2Fc7-3-1-14-6%2810%2C5%289%294%283%298%292-15-16%2811%2C12%2913%2Fh3-5%2C7-10H%2C1-2H2%2C%28H2%2C11%2C12%2C13%29%2Ft3-%2C4-%2C5%2B%2C6-%2Fm1%2Fs1

CHEBI CHEBI:16285
structure data: InChI%3D1S%2FC20H40O2%2Fc1-16%282%299-6-10-17%283%2911-7-12-18%284%2913-8-14-19%285%2915-20%2821%2922%2Fh16-19H%2C6-15H2%2C1-5H3%2C%28H%2C21%2C22%29

CHEBI CHEBI:38353
structure data: InChI%3D1S%2FC6H8O3%2Fc1-2-3-4-5%287%296%288%299%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C8%2C9%29

CHEBI CHEBI:27406
structure data: InChI%3D1S%2FC8H5NO2%2Fc10-7-3-5-1-2-9-6%285%294-8%287%2911%2Fh1-4%2C9H

biopax-level3ChemicalStructure172282
structure data: <atom id="CPD-13538-atom1" elementType="C" x2="0.0" y2="-825.0"/> <atom id="CPD-13538-atom2" elementType="C" x2="-714.0" y2="-412.0"/> <atom id="CPD-13538-atom3" elementType="C" x2="-714.0" y2="412.0"/> <atom id="CPD-13538-atom4" elementType="C" x2="0.0" y2="825.0"/> <atom id="CPD-13538-atom5" elementType="C" x2="714.0" y2="412.0"/> <atom id="CPD-13538-atom6" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-13538-atom7" elementType="C" x2="1429.0" y2="-825.0"/> <atom id="CPD-13538-atom8" elementType="C" x2="2142.0" y2="-412.0"/> <atom id="CPD-13538-atom9" elementType="C" x2="2857.0" y2="-825.0"/> <atom id="CPD-13538-atom10" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-13538-atom11" elementType="C" x2="3571.0" y2="414.0"/> <atom id="CPD-13538-atom12" elementType="C" x2="4286.0" y2="826.0"/> <atom id="CPD-13538-atom13" elementType="C" x2="4286.0" y2="1652.0"/> <atom id="CPD-13538-atom14" elementType="C" x2="5001.0" y2="2064.0"/> <atom id="CPD-13538-atom15" elementType="O" x2="6429.0" y2="2064.0"/> <atom id="CPD-13538-atom16" elementType="C" x2="2857.0" y2="-1650.0"/> <atom id="CPD-13538-atom17" elementType="C" x2="3571.0" y2="2064.0"/> <atom id="CPD-13538-atom18" elementType="C" x2="5715.0" y2="1651.0"/> <atom id="CPD-13538-atom19" elementType="H" x2="5715.0" y2="826.0"/> <atom id="CPD-13538-atom20" elementType="C" x2="412.0" y2="-1540.0"/> <atom id="CPD-13538-atom21" elementType="C" x2="-412.0" y2="-1540.0"/> <atom id="CPD-13538-atom22" elementType="C" x2="1429.0" y2="825.0"/> <bond id="CPD-13538-bond1" atomRefs="CPD-13538-atom1 CPD-13538-atom20" order="1"/> <bond id="CPD-13538-bond2" atomRefs="CPD-13538-atom1 CPD-13538-atom21" order="1"/> <bond id="CPD-13538-bond3" atomRefs="CPD-13538-atom1 CPD-13538-atom2" order="1"/> <bond id="CPD-13538-bond4" atomRefs="CPD-13538-atom2 CPD-13538-atom3" order="1"/> <bond id="CPD-13538-bond5" atomRefs="CPD-13538-atom3 CPD-13538-atom4" order="1"/> <bond id="CPD-13538-bond6" atomRefs="CPD-13538-atom4 CPD-13538-atom5" …

CHEBI CHEBI:2453
structure data: InChI%3D1S%2FC8H11N5O3%2Fc9-8-11-6-5%287%2815%2912-8%2910-3-13%286%294-16-2-1-14%2Fh3%2C14H%2C1-2%2C4H2%2C%28H3%2C9%2C11%2C12%2C15%29

biopax-level3ChemicalStructure155413
structure data: <atom id="THYMIDINE-atom1" elementType="C" x2="-13104.0" y2="-23254.0"/> <atom id="THYMIDINE-atom2" elementType="N" x2="3659.0" y2="19359.0"/> <atom id="THYMIDINE-atom3" elementType="C" x2="3659.0" y2="11568.0"/> <atom id="THYMIDINE-atom4" elementType="O" x2="-9090.0" y2="-10387.0"/> <atom id="THYMIDINE-atom5" elementType="C" x2="-16290.0" y2="-15818.0"/> <atom id="THYMIDINE-atom6" elementType="O" x2="-32817.0" y2="-15227.0"/> <atom id="THYMIDINE-atom7" elementType="C" x2="-24199.0" y2="-10977.0"/> <atom id="THYMIDINE-atom8" elementType="O" x2="-13104.0" y2="-32817.0"/> <atom id="THYMIDINE-atom9" elementType="C" x2="17236.0" y2="11568.0"/> <atom id="THYMIDINE-atom10" elementType="C" x2="25853.0" y2="23609.0"/> <atom id="THYMIDINE-atom11" elementType="O" x2="10505.0" y2="32699.0"/> <atom id="THYMIDINE-atom12" elementType="O" x2="-4722.0" y2="7082.0"/> <atom id="THYMIDINE-atom13" elementType="C" x2="-4604.0" y2="-23254.0"/> <atom id="THYMIDINE-atom14" elementType="N" x2="10505.0" y2="7909.0"/> <atom id="THYMIDINE-atom15" elementType="C" x2="17236.0" y2="19359.0"/> <atom id="THYMIDINE-atom16" elementType="C" x2="10505.0" y2="23136.0"/> <atom id="THYMIDINE-atom17" elementType="C" x2="-1890.0" y2="-15463.0"/> <bond id="THYMIDINE-bond1" atomRefs="THYMIDINE-atom17 THYMIDINE-atom14" order="1"/> <bond id="THYMIDINE-bond2" atomRefs="THYMIDINE-atom16 THYMIDINE-atom2" order="1"/> <bond id="THYMIDINE-bond3" atomRefs="THYMIDINE-atom15 THYMIDINE-atom16" order="1"/> <bond id="THYMIDINE-bond4" atomRefs="THYMIDINE-atom14 THYMIDINE-atom9" order="1"/> <bond id="THYMIDINE-bond5" atomRefs="THYMIDINE-atom13 THYMIDINE-atom17" order="1"/> <bond id="THYMIDINE-bond6" atomRefs="THYMIDINE-atom12 THYMIDINE-atom3" order="2"/> <bond id="THYMIDINE-bond7" atomRefs="THYMIDINE-atom11 THYMIDINE-atom16" order="2"/> <bond id="THYMIDINE-bond8" atomRefs="THYMIDINE-atom10 THYMIDINE-atom15" order="1"/> <bond id="THYMIDINE-bond9" atomRefs="THYMIDINE-atom9 THYMIDINE-atom15" order="2"/> <bond id="THYMIDINE-bond…

CHEBI CHEBI:65012
structure data: InChI%3D1S%2FC11H8N2O2S%2Fc14-7-13-9-4-2-1-3-8%289%2910%2815%2911-12-5-6-16-11%2Fh1-7H%2C%28H%2C13%2C14%29

CHEBI CHEBI:29103
structure data: InChI%3D1S%2FK%2Fq%2B1

CHEBI CHEBI:36706
structure data: InChI%3D1S%2FC17H22N4O2%2Fc1-4-23-9-13-20-14-15%2821%2813%2910-17%282%2C3%2922%2911-7-5-6-8-12%2811%2919-16%2814%2918%2Fh5-8%2C22H%2C4%2C9-10H2%2C1-3H3%2C%28H2%2C18%2C19%29

biopax-level3ChemicalStructure129984
structure data: <atom id="CYS-atom1" elementType="N" x2="16467.0" y2="-570.0" formalCharge="1"/> <atom id="CYS-atom2" elementType="O" x2="9207.0" y2="-21079.0"/> <atom id="CYS-atom3" elementType="O" x2="1997.0" y2="-8830.0" formalCharge="-1"/> <atom id="CYS-atom4" elementType="S" x2="30756.0" y2="-8830.0"/> <atom id="CYS-atom5" elementType="C" x2="23547.0" y2="-12820.0"/> <atom id="CYS-atom6" elementType="C" x2="9207.0" y2="-12820.0"/> <atom id="CYS-atom7" elementType="C" x2="16467.0" y2="-8830.0"/> <bond id="CYS-bond1" atomRefs="CYS-atom7 CYS-atom1" order="1"/> <bond id="CYS-bond2" atomRefs="CYS-atom2 CYS-atom6" order="2"/> <bond id="CYS-bond3" atomRefs="CYS-atom3 CYS-atom6" order="1"/> <bond id="CYS-bond4" atomRefs="CYS-atom4 CYS-atom5" order="1"/> <bond id="CYS-bond5" atomRefs="CYS-atom5 CYS-atom7" order="1"/> <bond id="CYS-bond6" atomRefs="CYS-atom6 CYS-atom7" order="1"/> <formula concise="H 7 C 3 S 1 O 2 N 1"/> 121.154 C(C(C([O-])=O)[N+])S

biopax-level3ChemicalStructure159813
structure data: <atom id="CPD-2747-atom1" elementType="C" x2="463950.0" y2="-438750.0"/> <atom id="CPD-2747-atom2" elementType="O" x2="0.0" y2="-167120.0"/> <atom id="CPD-2747-atom3" elementType="O" x2="598230.0" y2="-530630.0"/> <atom id="CPD-2747-atom4" elementType="O" x2="11700.0" y2="-83590.0" formalCharge="-1"/> <atom id="CPD-2747-atom5" elementType="O" x2="237530.0" y2="-2160.0"/> <atom id="CPD-2747-atom6" elementType="O" x2="105400.0" y2="0.0"/> <atom id="CPD-2747-atom7" elementType="O" x2="266620.0" y2="-251760.0"/> <atom id="CPD-2747-atom8" elementType="C" x2="174530.0" y2="-513550.0"/> <atom id="CPD-2747-atom9" elementType="C" x2="245990.0" y2="-554800.0"/> <atom id="CPD-2747-atom10" elementType="C" x2="174530.0" y2="-431060.0"/> <atom id="CPD-2747-atom11" elementType="C" x2="317430.0" y2="-431060.0"/> <atom id="CPD-2747-atom12" elementType="C" x2="478170.0" y2="-653990.0"/> <atom id="CPD-2747-atom13" elementType="C" x2="397500.0" y2="-636850.0"/> <atom id="CPD-2747-atom14" elementType="O" x2="80990.0" y2="-307320.0"/> <atom id="CPD-2747-atom15" elementType="C" x2="76070.0" y2="-135190.0"/> <atom id="CPD-2747-atom16" elementType="C" x2="519430.0" y2="-582560.0"/> <atom id="CPD-2747-atom17" elementType="C" x2="317430.0" y2="-513550.0"/> <atom id="CPD-2747-atom18" elementType="C" x2="237050.0" y2="-96470.0"/> <atom id="CPD-2747-atom19" elementType="C" x2="104820.0" y2="-94310.0"/> <atom id="CPD-2747-atom20" elementType="C" x2="184130.0" y2="-252740.0"/> <atom id="CPD-2747-atom21" elementType="C" x2="154740.0" y2="-159990.0"/> <atom id="CPD-2747-atom22" elementType="C" x2="245990.0" y2="-307320.0"/> <atom id="CPD-2747-atom23" elementType="N" x2="464230.0" y2="-521250.0"/> <atom id="CPD-2747-atom24" elementType="N" x2="245990.0" y2="-389820.0" formalCharge="1"/> <atom id="CPD-2747-atom25" elementType="C" x2="388870.0" y2="-554800.0"/> <bond id="CPD-2747-bond1" atomRefs="CPD-2747-atom25 CPD-2747-atom23" order="1"/> <bond id="CPD-2747-bond2" atomRefs="CPD-2747-atom22 CPD-2747-a…

CHEBI CHEBI:3437
structure data: InChI%3D1S%2FC16H24N2O3%2Fc1-16%282%2C3%2917-9-11%2819%2910-21-14-6-4-5-13-12%2814%297-8-15%2820%2918-13%2Fh4-6%2C11%2C17%2C19H%2C7-10H2%2C1-3H3%2C%28H%2C18%2C20%29

CHEBI CHEBI:53154
structure data: InChI%3D1S%2FC30H40O%2Fc1-24%2813-8-9-14-25%282%2916-11-18-27%284%2923-31%2915-10-17-26%283%2920-21-29-28%285%2919-12-22-30%2829%2C6%297%2Fh8-11%2C13-18%2C20-21%2C23H%2C12%2C19%2C22H2%2C1-7H3%2Fb9-8%2B%2C15-10%2B%2C16-11%2B%2C21-20%2B%2C24-13%2B%2C25-14%2B%2C26-17%2B%2C27-18%2B

CHEBI CHEBI:7612
structure data: InChI%3D1S%2FC29H58O%2Fc1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29%2830%2927-25-23-21-10-8-6-4-2%2Fh3-28H2%2C1-2H3

CHEBI CHEBI:29806
structure data: InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fp-2%2Fb2-1%2B

biopax-level3ChemicalStructure166254
structure data: <atom id="CPD-7656-atom1" elementType="C" x2="-12500.0" y2="-163750.0"/> <atom id="CPD-7656-atom2" elementType="C" x2="-83950.0" y2="-122500.0"/> <atom id="CPD-7656-atom3" elementType="C" x2="-83950.0" y2="-40000.0"/> <atom id="CPD-7656-atom4" elementType="C" x2="-12500.0" y2="1250.0"/> <atom id="CPD-7656-atom5" elementType="C" x2="58950.0" y2="-40000.0"/> <atom id="CPD-7656-atom6" elementType="C" x2="58950.0" y2="-122500.0"/> <atom id="CPD-7656-atom7" elementType="CL" x2="130390.0" y2="1250.0"/> <atom id="CPD-7656-atom8" elementType="CL" x2="-155390.0" y2="1250.0"/> <atom id="CPD-7656-atom9" elementType="O" x2="-155390.0" y2="-163750.0"/> <atom id="CPD-7656-atom10" elementType="C" x2="-226840.0" y2="-122500.0"/> <atom id="CPD-7656-atom11" elementType="C" x2="-298290.0" y2="-163750.0"/> <atom id="CPD-7656-atom12" elementType="C" x2="-369730.0" y2="-122500.0"/> <atom id="CPD-7656-atom13" elementType="N" x2="-441180.0" y2="-163750.0"/> <atom id="CPD-7656-atom14" elementType="C" x2="-512630.0" y2="-122500.0"/> <atom id="CPD-7656-atom15" elementType="C" x2="-441180.0" y2="-246250.0"/> <atom id="CPD-7656-atom16" elementType="C" x2="-369740.0" y2="-287500.0"/> <atom id="CPD-7656-atom17" elementType="C" x2="-369740.0" y2="-370000.0"/> <bond id="CPD-7656-bond1" atomRefs="CPD-7656-atom16 CPD-7656-atom17" order="3"/> <bond id="CPD-7656-bond2" atomRefs="CPD-7656-atom15 CPD-7656-atom16" order="1"/> <bond id="CPD-7656-bond3" atomRefs="CPD-7656-atom13 CPD-7656-atom15" order="1"/> <bond id="CPD-7656-bond4" atomRefs="CPD-7656-atom13 CPD-7656-atom14" order="1"/> <bond id="CPD-7656-bond5" atomRefs="CPD-7656-atom12 CPD-7656-atom13" order="1"/> <bond id="CPD-7656-bond6" atomRefs="CPD-7656-atom11 CPD-7656-atom12" order="1"/> <bond id="CPD-7656-bond7" atomRefs="CPD-7656-atom10 CPD-7656-atom11" order="1"/> <bond id="CPD-7656-bond8" atomRefs="CPD-7656-atom9 CPD-7656-atom10" order="1"/> <bond id="CPD-7656-bond9" atomRefs="CPD-7656-atom2 CPD-7656-atom9" order="1"/> <bond id="CPD-7656-bond10"…

biopax-level3ChemicalStructure138826
structure data: <atom id="L-KYNURENINE-atom1" elementType="N" x2="21129.0" y2="-26118.0"/> <atom id="L-KYNURENINE-atom2" elementType="N" x2="36174.0" y2="0.0" formalCharge="1"/> <atom id="L-KYNURENINE-atom3" elementType="O" x2="43020.0" y2="-21132.0"/> <atom id="L-KYNURENINE-atom4" elementType="O" x2="21299.0" y2="-1101.0"/> <atom id="L-KYNURENINE-atom5" elementType="O" x2="51219.0" y2="-12934.0" formalCharge="-1"/> <atom id="L-KYNURENINE-atom6" elementType="C" x2="0.0" y2="-21722.0"/> <atom id="L-KYNURENINE-atom7" elementType="C" x2="0.0" y2="-13439.0"/> <atom id="L-KYNURENINE-atom8" elementType="C" x2="7016.0" y2="-25780.0"/> <atom id="L-KYNURENINE-atom9" elementType="C" x2="7016.0" y2="-9299.0"/> <atom id="L-KYNURENINE-atom10" elementType="C" x2="28399.0" y2="-13439.0"/> <atom id="L-KYNURENINE-atom11" elementType="C" x2="43020.0" y2="-12934.0"/> <atom id="L-KYNURENINE-atom12" elementType="C" x2="21299.0" y2="-9299.0"/> <atom id="L-KYNURENINE-atom13" elementType="C" x2="14198.0" y2="-21722.0"/> <atom id="L-KYNURENINE-atom14" elementType="C" x2="14198.0" y2="-13439.0"/> <atom id="L-KYNURENINE-atom15" elementType="C" x2="36174.0" y2="-8201.0"/> <bond id="L-KYNURENINE-bond1" atomRefs="L-KYNURENINE-atom13 L-KYNURENINE-atom14" order="2"/> <bond id="L-KYNURENINE-bond2" atomRefs="L-KYNURENINE-atom12 L-KYNURENINE-atom14" order="1"/> <bond id="L-KYNURENINE-bond3" atomRefs="L-KYNURENINE-atom11 L-KYNURENINE-atom15" order="1"/> <bond id="L-KYNURENINE-bond4" atomRefs="L-KYNURENINE-atom10 L-KYNURENINE-atom15" order="1"/> <bond id="L-KYNURENINE-bond5" atomRefs="L-KYNURENINE-atom10 L-KYNURENINE-atom12" order="1"/> <bond id="L-KYNURENINE-bond6" atomRefs="L-KYNURENINE-atom14 L-KYNURENINE-atom9" order="1"/> <bond id="L-KYNURENINE-bond7" atomRefs="L-KYNURENINE-atom8 L-KYNURENINE-atom13" order="1"/> <bond id="L-KYNURENINE-bond8" atomRefs="L-KYNURENINE-atom9 L-KYNURENINE-atom7" order="2"/> <bond id="L-KYNURENINE-bond9" atomRefs="L-KYNURENINE-atom6 L-KYNURENINE-atom8" order="2"/> <bond id="L-KYNURENINE…

CHEBI CHEBI:64555
structure data: InChI%3D1S%2FC9H10O2%2Fc10-7-1-2-8-3-5-9%2811%296-4-8%2Fh1-6%2C10-11H%2C7H2%2Fb2-1%2B

CHEBI CHEBI:51209
structure data: InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10%2B%2Fm0%2Fs1

biopax-level3ChemicalStructure169317
structure data: <atom id="CPD-4577-atom1" elementType="C" x2="7820.0" y2="-3261.0"/> <atom id="CPD-4577-atom2" elementType="C" x2="8882.0" y2="-4217.0"/> <atom id="CPD-4577-atom3" elementType="C" x2="4805.0" y2="-5541.0"/> <atom id="CPD-4577-atom4" elementType="C" x2="2143.0" y2="-3445.0"/> <atom id="CPD-4577-atom5" elementType="C" x2="4404.0" y2="-4709.0"/> <atom id="CPD-4577-atom6" elementType="C" x2="908.0" y2="-706.0"/> <atom id="CPD-4577-atom7" elementType="O" x2="1798.0" y2="0.0"/> <atom id="CPD-4577-atom8" elementType="O" x2="2811.0" y2="-1016.0" formalCharge="-1"/> <atom id="CPD-4577-atom9" elementType="O" x2="0.0" y2="-1383.0"/> <atom id="CPD-4577-atom10" elementType="C" x2="7523.0" y2="-4658.0"/> <atom id="CPD-4577-atom11" elementType="C" x2="6716.0" y2="-4487.0"/> <atom id="CPD-4577-atom12" elementType="C" x2="3572.0" y2="-1795.0"/> <atom id="CPD-4577-atom13" elementType="C" x2="2889.0" y2="-3889.0"/> <atom id="CPD-4577-atom14" elementType="C" x2="6164.0" y2="-5100.0"/> <atom id="CPD-4577-atom15" elementType="C" x2="2857.0" y2="-1383.0"/> <atom id="CPD-4577-atom16" elementType="C" x2="5102.0" y2="-2809.0"/> <atom id="CPD-4577-atom17" elementType="C" x2="714.0" y2="-2620.0"/> <atom id="CPD-4577-atom18" elementType="C" x2="5587.0" y2="-3476.0"/> <atom id="CPD-4577-atom19" elementType="C" x2="3603.0" y2="-4301.0"/> <atom id="CPD-4577-atom20" elementType="C" x2="1429.0" y2="-3033.0"/> <atom id="CPD-4577-atom21" elementType="C" x2="8075.0" y2="-4045.0"/> <atom id="CPD-4577-atom22" elementType="C" x2="2012.0" y2="-800.0"/> <atom id="CPD-4577-atom23" elementType="C" x2="3603.0" y2="-2652.0"/> <atom id="CPD-4577-atom24" elementType="C" x2="2889.0" y2="-3064.0"/> <atom id="CPD-4577-atom25" elementType="C" x2="5357.0" y2="-4928.0"/> <atom id="CPD-4577-atom26" elementType="C" x2="714.0" y2="-1795.0"/> <atom id="CPD-4577-atom27" elementType="C" x2="4317.0" y2="-3064.0"/> <atom id="CPD-4577-atom28" elementType="C" x2="5102.0" y2="-4144.0"/> <atom id="CPD-4577-atom29" elementType="C" …

CHEBI CHEBI:63990
structure data: InChI%3D1S%2FC20H32O5%2Fc1-2-3-8-12-17%2821%2913-9-6-4-5-7-10-14-18%2822%2919%2823%2915-11-16-20%2824%2925%2Fh4-7%2C9-10%2C13-14%2C17-19%2C21-23H%2C2-3%2C8%2C11-12%2C15-16H2%2C1H3%2C%28H%2C24%2C25%29%2Fb6-4-%2C7-5%2B%2C13-9%2B%2C14-10%2B%2Ft17-%2C18-%2C19-%2Fm0%2Fs1

CHEBI CHEBI:43299
structure data: InChI%3D1S%2FC8H12N2O3%2Fc1-5-6%283-2-4-11%299-8%2813%2910-7%285%2912%2Fh11H%2C2-4H2%2C1H3%2C%28H2%2C9%2C10%2C12%2C13%29

CHEBI CHEBI:36214
structure data: InChI%3D1S%2FC12H24O3%2Fc1-2-3-4-5-6-7-8-11%2813%299-10-12%2814%2915%2Fh11%2C13H%2C2-10H2%2C1H3%2C%28H%2C14%2C15%29

CHEBI CHEBI:16973
structure data: InChI%3D1S%2FC21H30O3%2Fc1-20-9-7-14%2823%2911-13%2820%293-4-15-16-5-6-18%2819%2824%2912-22%2921%2816%2C2%2910-8-17%2815%2920%2Fh11%2C15-18%2C22H%2C3-10%2C12H2%2C1-2H3%2Ft15-%2C16-%2C17-%2C18%2B%2C20-%2C21-%2Fm0%2Fs1

CHEBI CHEBI:63910
structure data: InChI%3D1S%2FC6H14O%2Fc1-6%282%294-3-5-7%2Fh6-7H%2C3-5H2%2C1-2H3

CHEBI CHEBI:58795
structure data: InChI%3D1S%2FC6H10O3S%2Fc1-10-3-2-5%288%296%289%294-7%2Fh4%2C7%2C9H%2C2-3H2%2C1H3%2Fp-1%2Fb6-4-

CHEBI CHEBI:41037
structure data: InChI%3D1S%2FC14H16N2O4%2Fc17-6-7-20-10-16-9-12%2813%2818%2915-14%2816%2919%298-11-4-2-1-3-5-11%2Fh1-5%2C9%2C17H%2C6-8%2C10H2%2C%28H%2C15%2C18%2C19%29

CHEBI CHEBI:24757
structure data: InChI%3D1S%2FClHO%2Fc1-2%2Fh2H

biopax-level3ChemicalStructure141205
structure data: <cml> <molecule id="Sphingomyelins" title="a sphingomyelin" formalCharge="0" dictRef="dictSphingomyelins"> <atomArray> <atom id="Sphingomyelins-atom1" elementType="C" x2="18845.0" y2="73852.0"/> <atom id="Sphingomyelins-atom2" elementType="C" x2="-45458.0" y2="77977.0"/> <atom id="Sphingomyelins-atom3" elementType="C" x2="11700.0" y2="77977.0"/> <atom id="Sphingomyelins-atom4" elementType="C" x2="-98491.0" y2="70832.0"/> <atom id="Sphingomyelins-atom5" elementType="O" x2="-66892.0" y2="73852.0"/> <atom id="Sphingomyelins-atom6" elementType="C" x2="-106741.0" y2="85122.0"/> <atom id="Sphingomyelins-atom7" elementType="O" x2="-66892.0" y2="65602.0"/> <atom id="Sphingomyelins-atom8" elementType="C" x2="40279.0" y2="77977.0"/> <atom id="Sphingomyelins-atom9" elementType="P" x2="-74037.0" y2="77977.0"/> <atom id="Sphingomyelins-atom10" elementType="C" x2="-9734.0" y2="73852.0"/> <atom id="Sphingomyelins-atom11" elementType="C" x2="-88326.0" y2="77977.0"/> <atom id="Sphingomyelins-atom12" elementType="C" x2="-16879.0" y2="77977.0"/> <atom id="Sphingomyelins-atom13" elementType="C" x2="-31168.0" y2="77977.0"/> <atom id="Sphingomyelins-atom14" elementType="C" x2="-59747.0" y2="77977.0"/> <atom id="Sphingomyelins-atom15" elementType="O" x2="-69912.0" y2="85122.0" formalCharge="-1"/> <atom id="Sphingomyelins-atom16" elementType="C" x2="47423.0" y2="73852.0"/> <atom id="Sphingomyelins-atom17" elementType="C" x2="-24024.0" y2="73852.0"/> <atom id="Sphingomyelins-atom18" elementType="O" x2="-78162.0" y2="70832.0"/> <atom id="Sphingomyelins-atom19" elementType="C" x2="33134.0" y2="73852.0"/> <atom id="Sphingomyelins-atom20" elementType="O" x2="-45458.0" y2="86227.0"/> <atom id="Sphingomyelins-atom21" elementType="C" x2="-95471.0" y2="82102.0"/> <atom id="Sphingomyelins-atom22" elementType="C" x2="-59747.0" y2="61477.0"/> <atom id="Sphingomyelins-atom23" elementType="C" x2="-52603.0" y2="73852.0"/> <atom id="Sphingomyelins-atom24" elementType="R" x2="-59747.0" y2="53227.0"/> <atom…

biopax-level3ChemicalStructure138194
structure data: <atom id="CPD-9897-atom1" elementType="C" x2="2.76563e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom2" elementType="C" x2="9.0806e+7" y2="-3.7124e+7"/> <atom id="CPD-9897-atom3" elementType="C" x2="1.19384e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom4" elementType="C" x2="1.4796099e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom5" elementType="C" x2="1.7653901e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom6" elementType="C" x2="2.05118e+8" y2="-3.7125e+7"/> <atom id="CPD-9897-atom7" elementType="C" x2="2.3369499e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom8" elementType="O" x2="2.5512899e+8" y2="0.0"/> <atom id="CPD-9897-atom9" elementType="O" x2="2.6941798e+8" y2="-1000.0" formalCharge="-1"/> <atom id="CPD-9897-atom10" elementType="O" x2="2.6227301e+8" y2="-3.7124e+7"/> <atom id="CPD-9897-atom11" elementType="C" x2="9.7949e+7" y2="-2.4749e+7"/> <atom id="CPD-9897-atom12" elementType="C" x2="1.26528e+8" y2="-2.4749e+7"/> <atom id="CPD-9897-atom13" elementType="C" x2="1.55106e+8" y2="-2.4749e+7"/> <atom id="CPD-9897-atom14" elementType="C" x2="1.83684e+8" y2="-2.475e+7"/> <atom id="CPD-9897-atom15" elementType="C" x2="2.12262e+8" y2="-2.4749e+7"/> <atom id="CPD-9897-atom16" elementType="C" x2="2.4084e+8" y2="-2.4749e+7"/> <atom id="CPD-9897-atom17" elementType="C" x2="2.5512899e+8" y2="-1.65e+7"/> <atom id="CPD-9897-atom18" elementType="C" x2="2.69417e+8" y2="-1.65e+7"/> <atom id="CPD-9897-atom19" elementType="C" x2="1.05094e+8" y2="-2.8874e+7"/> <atom id="CPD-9897-atom20" elementType="C" x2="1.33672e+8" y2="-2.8874e+7"/> <atom id="CPD-9897-atom21" elementType="C" x2="1.6225e+8" y2="-2.8874e+7"/> <atom id="CPD-9897-atom22" elementType="C" x2="1.9082899e+8" y2="-2.8874e+7"/> <atom id="CPD-9897-atom23" elementType="C" x2="2.1940701e+8" y2="-2.8875e+7"/> <atom id="CPD-9897-atom24" elementType="C" x2="2.4798402e+8" y2="-2.8874e+7"/> <atom id="CPD-9897-atom25" elementType="C" x2="1.12239e+8" y2="-2.4749e+7"/> <atom id="CPD-9897-atom26" elementType="C" x2="1.4081701e+8" y2="…

CHEBI CHEBI:48430
structure data: InChI%3D1S%2FC6H10O3%2Fc1-4%282%293-5%287%296%288%299%2Fh4H%2C3H2%2C1-2H3%2C%28H%2C8%2C9%29

CHEBI CHEBI:18558
structure data: InChI%3D1S%2FC10H9NO4%2Fc11-7-2-4-8%2812%296%285-7%291-3-9%2813%2910%2814%2915%2Fh1-5%2C12H%2C11H2%2C%28H%2C14%2C15%29%2Fb3-1%2B

biopax-level3ChemicalStructure169894
structure data: <atom id="N-METHYLARGININE-atom1" elementType="O" x2="5666.0" y2="-1650.0" formalCharge="-1"/> <atom id="N-METHYLARGININE-atom2" elementType="O" x2="4951.0" y2="-2888.0"/> <atom id="N-METHYLARGININE-atom3" elementType="N" x2="2808.0" y2="825.0"/> <atom id="N-METHYLARGININE-atom4" elementType="N" x2="3522.0" y2="-2062.0" formalCharge="1"/> <atom id="N-METHYLARGININE-atom5" elementType="N" x2="2093.0" y2="2062.0"/> <atom id="N-METHYLARGININE-atom6" elementType="N" x2="3522.0" y2="2062.0" formalCharge="1"/> <atom id="N-METHYLARGININE-atom7" elementType="C" x2="4236.0" y2="-825.0"/> <atom id="N-METHYLARGININE-atom8" elementType="C" x2="3522.0" y2="-412.0"/> <atom id="N-METHYLARGININE-atom9" elementType="C" x2="4236.0" y2="-1650.0"/> <atom id="N-METHYLARGININE-atom10" elementType="C" x2="3522.0" y2="412.0"/> <atom id="N-METHYLARGININE-atom11" elementType="C" x2="4951.0" y2="-2062.0"/> <atom id="N-METHYLARGININE-atom12" elementType="C" x2="2808.0" y2="1650.0"/> <atom id="N-METHYLARGININE-atom13" elementType="C" x2="3522.0" y2="2888.0"/> <bond id="N-METHYLARGININE-bond1" atomRefs="N-METHYLARGININE-atom1 N-METHYLARGININE-atom11" order="1"/> <bond id="N-METHYLARGININE-bond2" atomRefs="N-METHYLARGININE-atom2 N-METHYLARGININE-atom11" order="2"/> <bond id="N-METHYLARGININE-bond3" atomRefs="N-METHYLARGININE-atom3 N-METHYLARGININE-atom10" order="1"/> <bond id="N-METHYLARGININE-bond4" atomRefs="N-METHYLARGININE-atom3 N-METHYLARGININE-atom12" order="1"/> <bond id="N-METHYLARGININE-bond5" atomRefs="N-METHYLARGININE-atom4 N-METHYLARGININE-atom9" order="1"/> <bond id="N-METHYLARGININE-bond6" atomRefs="N-METHYLARGININE-atom5 N-METHYLARGININE-atom12" order="1"/> <bond id="N-METHYLARGININE-bond7" atomRefs="N-METHYLARGININE-atom6 N-METHYLARGININE-atom12" order="2"/> <bond id="N-METHYLARGININE-bond8" atomRefs="N-METHYLARGININE-atom6 N-METHYLARGININE-atom13" order="1"/> <bond id="N-METHYLARGININE-bond9" atomRefs="N-METHYLARGININE-atom7 N-METHYLARGININE-atom8" order="1"/> <bond id="N-METHYLA…

CHEBI CHEBI:16290
structure data: InChI%3D1S%2FC27H44O%2Fc1-18%282%297-6-8-19%283%2923-11-12-24-22-10-9-20-17-21%2828%2913-15-26%2820%2C4%2925%2822%2914-16-27%2823%2C24%295%2Fh7%2C10%2C19-21%2C23-25%2C28H%2C6%2C8-9%2C11-17H2%2C1-5H3%2Ft19-%2C20%2B%2C21%2B%2C23-%2C24%2B%2C25%2B%2C26%2B%2C27-%2Fm1%2Fs1

CHEBI CHEBI:55522
structure data: InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1