biopax-level3ChemicalStructure174025

Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure174025

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	biopax3:ChemicalStructure
biopax3:structureData	<cml> <molecule id="CPD1G-108" title="6-O-trans-keto-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol" formalCharge="-1" dictRef="dictCPD1G-108"> <atomArray> <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" 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atomRefs="CPD1G-108-atom1 CPD1G-108-atom2" order="1"/> <bond id="CPD1G-108-bond2" atomRefs="CPD1G-108-atom2 CPD1G-108-atom3" order="1"/> <bond id="CPD1G-108-bond3" atomRefs="CPD1G-108-atom3 CPD1G-108-atom4" order="1"/> <bond id="CPD1G-108-bond4" atomRefs="CPD1G-108-atom4 CPD1G-108-atom5" order="1"/> <bond id="CPD1G-108-bond5" atomRefs="CPD1G-108-atom5 CPD1G-108-atom6" order="1"/> <bond id="CPD1G-108-bond6" atomRefs="CPD1G-108-atom6 CPD1G-108-atom7" order="1"/> <bond id="CPD1G-108-bond7" atomRefs="CPD1G-108-atom7 CPD1G-108-atom8" order="1"/> <bond id="CPD1G-108-bond8" atomRefs="CPD1G-108-atom8 CPD1G-108-atom9" order="1"/> <bond id="CPD1G-108-bond9" atomRefs="CPD1G-108-atom9 CPD1G-108-atom10" order="1"/> <bond id="CPD1G-108-bond10" atomRefs="CPD1G-108-atom10 CPD1G-108-atom11" order="1"/> <bond id="CPD1G-108-bond11" atomRefs="CPD1G-108-atom11 CPD1G-108-atom12" order="1"/> <bond id="CPD1G-108-bond12" atomRefs="CPD1G-108-atom12 CPD1G-108-atom13" order="1"/> <bond id="CPD1G-108-bond13" 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id="CPD1G-108-bond60" atomRefs="CPD1G-108-atom62 CPD1G-108-atom63" order="1"/> <bond id="CPD1G-108-bond61" atomRefs="CPD1G-108-atom63 CPD1G-108-atom64" order="1"/> <bond id="CPD1G-108-bond62" atomRefs="CPD1G-108-atom64 CPD1G-108-atom65" order="1"/> <bond id="CPD1G-108-bond63" atomRefs="CPD1G-108-atom65 CPD1G-108-atom66" order="1"/> <bond id="CPD1G-108-bond64" atomRefs="CPD1G-108-atom66 CPD1G-108-atom67" order="1"/> <bond id="CPD1G-108-bond65" atomRefs="CPD1G-108-atom67 CPD1G-108-atom68" order="1"/> <bond id="CPD1G-108-bond66" atomRefs="CPD1G-108-atom68 CPD1G-108-atom69" order="1"/> <bond id="CPD1G-108-bond67" atomRefs="CPD1G-108-atom69 CPD1G-108-atom70" order="1"/> <bond id="CPD1G-108-bond68" atomRefs="CPD1G-108-atom70 CPD1G-108-atom71" order="1"/> <bond id="CPD1G-108-bond69" atomRefs="CPD1G-108-atom71 CPD1G-108-atom72" order="1"/> <bond id="CPD1G-108-bond70" atomRefs="CPD1G-108-atom72 CPD1G-108-atom73" order="1"/> <bond id="CPD1G-108-bond71" atomRefs="CPD1G-108-atom73 CPD1G-108-atom74" order="1"/> <bond id="CPD1G-108-bond72" atomRefs="CPD1G-108-atom74 CPD1G-108-atom75" order="1"/> <bond id="CPD1G-108-bond73" atomRefs="CPD1G-108-atom75 CPD1G-108-atom76" order="1"/> <bond id="CPD1G-108-bond74" atomRefs="CPD1G-108-atom76 CPD1G-108-atom77" order="1"/> <bond id="CPD1G-108-bond75" atomRefs="CPD1G-108-atom77 CPD1G-108-atom78" order="1"/> <bond id="CPD1G-108-bond76" atomRefs="CPD1G-108-atom35 CPD1G-108-atom79" order="1"/> <bond id="CPD1G-108-bond77" atomRefs="CPD1G-108-atom79 CPD1G-108-atom80" order="1"/> <bond id="CPD1G-108-bond78" atomRefs="CPD1G-108-atom78 CPD1G-108-atom81" order="1"/> <bond id="CPD1G-108-bond79" atomRefs="CPD1G-108-atom61 CPD1G-108-atom82" order="1"/> <bond id="CPD1G-108-bond80" atomRefs="CPD1G-108-atom83 CPD1G-108-atom41" order="1"/> <bond id="CPD1G-108-bond81" atomRefs="CPD1G-108-atom41 CPD1G-108-atom84" order="1"/> <bond id="CPD1G-108-bond82" atomRefs="CPD1G-108-atom84 CPD1G-108-atom83" order="1"/> <bond id="CPD1G-108-bond83" atomRefs="CPD1G-108-atom40 CPD1G-108-atom41" order="1"/> <bond id="CPD1G-108-bond84" atomRefs="CPD1G-108-atom83 CPD1G-108-atom43" order="1"/> <bond id="CPD1G-108-bond85" atomRefs="CPD1G-108-atom43 CPD1G-108-atom85" order="1"/> <bond id="CPD1G-108-bond86" atomRefs="CPD1G-108-atom80 CPD1G-108-atom86" order="1"/> <bond id="CPD1G-108-bond87" atomRefs="CPD1G-108-atom86 CPD1G-108-atom87" order="1"/> <bond id="CPD1G-108-bond88" atomRefs="CPD1G-108-atom87 CPD1G-108-atom88" order="1"/> <bond id="CPD1G-108-bond89" atomRefs="CPD1G-108-atom88 CPD1G-108-atom89" order="1"/> <bond id="CPD1G-108-bond90" atomRefs="CPD1G-108-atom89 CPD1G-108-atom90" order="1"/> <bond id="CPD1G-108-bond91" atomRefs="CPD1G-108-atom91 CPD1G-108-atom92" order="1"/> <bond id="CPD1G-108-bond92" atomRefs="CPD1G-108-atom92 CPD1G-108-atom93" order="1"/> <bond id="CPD1G-108-bond93" atomRefs="CPD1G-108-atom93 CPD1G-108-atom94" order="1"/> <bond id="CPD1G-108-bond94" atomRefs="CPD1G-108-atom94 CPD1G-108-atom95" order="2"/> <bond id="CPD1G-108-bond95" atomRefs="CPD1G-108-atom95 CPD1G-108-atom96" order="1"/> <bond id="CPD1G-108-bond96" atomRefs="CPD1G-108-atom96 CPD1G-108-atom97" order="1"/> <bond id="CPD1G-108-bond97" atomRefs="CPD1G-108-atom97 CPD1G-108-atom98" order="1"/> <bond id="CPD1G-108-bond98" atomRefs="CPD1G-108-atom98 CPD1G-108-atom99" order="2"/> <bond id="CPD1G-108-bond99" atomRefs="CPD1G-108-atom99 CPD1G-108-atom100" order="1"/> <bond id="CPD1G-108-bond100" atomRefs="CPD1G-108-atom100 CPD1G-108-atom101" order="1"/> <bond id="CPD1G-108-bond101" atomRefs="CPD1G-108-atom101 CPD1G-108-atom102" order="1"/> <bond id="CPD1G-108-bond102" atomRefs="CPD1G-108-atom102 CPD1G-108-atom103" order="2"/> <bond id="CPD1G-108-bond103" atomRefs="CPD1G-108-atom103 CPD1G-108-atom104" order="1"/> <bond id="CPD1G-108-bond104" atomRefs="CPD1G-108-atom103 CPD1G-108-atom105" order="1"/> <bond id="CPD1G-108-bond105" atomRefs="CPD1G-108-atom105 CPD1G-108-atom106" order="1"/> <bond id="CPD1G-108-bond106" atomRefs="CPD1G-108-atom106 CPD1G-108-atom107" order="1"/> <bond id="CPD1G-108-bond107" atomRefs="CPD1G-108-atom107 CPD1G-108-atom108" order="2"/> <bond id="CPD1G-108-bond108" atomRefs="CPD1G-108-atom108 CPD1G-108-atom109" order="1"/> <bond id="CPD1G-108-bond109" atomRefs="CPD1G-108-atom109 CPD1G-108-atom110" order="1"/> <bond id="CPD1G-108-bond110" atomRefs="CPD1G-108-atom110 CPD1G-108-atom111" order="1"/> <bond id="CPD1G-108-bond111" atomRefs="CPD1G-108-atom111 CPD1G-108-atom112" order="2"/> <bond id="CPD1G-108-bond112" atomRefs="CPD1G-108-atom112 CPD1G-108-atom113" order="1"/> <bond id="CPD1G-108-bond113" atomRefs="CPD1G-108-atom108 CPD1G-108-atom114" order="1"/> <bond id="CPD1G-108-bond114" atomRefs="CPD1G-108-atom112 CPD1G-108-atom115" order="1"/> <bond id="CPD1G-108-bond115" atomRefs="CPD1G-108-atom113 CPD1G-108-atom116" order="1"/> <bond id="CPD1G-108-bond116" atomRefs="CPD1G-108-atom116 CPD1G-108-atom117" order="1"/> <bond id="CPD1G-108-bond117" atomRefs="CPD1G-108-atom117 CPD1G-108-atom118" order="2"/> <bond id="CPD1G-108-bond118" atomRefs="CPD1G-108-atom118 CPD1G-108-atom119" order="1"/> <bond id="CPD1G-108-bond119" atomRefs="CPD1G-108-atom118 CPD1G-108-atom120" order="1"/> <bond id="CPD1G-108-bond120" atomRefs="CPD1G-108-atom99 CPD1G-108-atom121" order="1"/> <bond id="CPD1G-108-bond121" atomRefs="CPD1G-108-atom95 CPD1G-108-atom122" order="1"/> <bond id="CPD1G-108-bond122" atomRefs="CPD1G-108-atom91 CPD1G-108-atom123" order="1"/> <bond id="CPD1G-108-bond123" atomRefs="CPD1G-108-atom91 CPD1G-108-atom124" order="2"/> <bond id="CPD1G-108-bond124" atomRefs="CPD1G-108-atom124 CPD1G-108-atom125" order="1"/> <bond id="CPD1G-108-bond125" atomRefs="CPD1G-108-atom125 CPD1G-108-atom126" order="1"/> <bond id="CPD1G-108-bond126" atomRefs="CPD1G-108-atom126 CPD1G-108-atom127" order="1"/> <bond id="CPD1G-108-bond127" atomRefs="CPD1G-108-atom127 CPD1G-108-atom128" order="1"/> <bond id="CPD1G-108-bond128" atomRefs="CPD1G-108-atom127 CPD1G-108-atom129" order="2"/> <bond id="CPD1G-108-bond129" atomRefs="CPD1G-108-atom127 CPD1G-108-atom130" order="1"/> <bond id="CPD1G-108-bond130" atomRefs="CPD1G-108-atom130 CPD1G-108-atom131" order="1"/> <bond id="CPD1G-108-bond131" atomRefs="CPD1G-108-atom134 CPD1G-108-atom131" order="1"/> <bond id="CPD1G-108-bond132" atomRefs="CPD1G-108-atom131 CPD1G-108-atom135" order="1"/> <bond id="CPD1G-108-bond133" atomRefs="CPD1G-108-atom132 CPD1G-108-atom133" order="1"/> <bond id="CPD1G-108-bond134" atomRefs="CPD1G-108-atom133 CPD1G-108-atom134" order="1"/> <bond id="CPD1G-108-bond135" atomRefs="CPD1G-108-atom135 CPD1G-108-atom136" order="1"/> <bond id="CPD1G-108-bond136" atomRefs="CPD1G-108-atom132 CPD1G-108-atom136" order="1"/> <bond id="CPD1G-108-bond137" atomRefs="CPD1G-108-atom136 CPD1G-108-atom137" order="1"/> <bond id="CPD1G-108-bond138" atomRefs="CPD1G-108-atom132 CPD1G-108-atom138" order="1"/> <bond id="CPD1G-108-bond139" atomRefs="CPD1G-108-atom135 CPD1G-108-atom139" order="1"/> <bond id="CPD1G-108-bond140" atomRefs="CPD1G-108-atom133 CPD1G-108-atom140" order="1"/> <bond id="CPD1G-108-bond141" atomRefs="CPD1G-108-atom140 CPD1G-108-atom141" order="1"/> <bond id="CPD1G-108-bond142" atomRefs="CPD1G-108-atom16 CPD1G-108-atom141" order="1"/> </bondArray> <formula concise="H 236 P 1 O 12 C 128"/> <float title="molecularWeight" units="g/mol">1998.239</float> <string title="smiles">C(OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC2(CC(C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)=O)2)</string> </molecule> </cml>
biopax3:structureFormat	CML