Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure142515
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="Chondroitin-sulfate-disaccharides" title="chondroitin sulfate disaccharide" formalCharge="-2" dictRef="dictChondroitin-sulfate-disaccharides"> <atomArray> <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" elementType="C" x2="-36858.0" y2="-50827.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom22" elementType="O" x2="-36858.0" y2="-59077.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom23" elementType="O" x2="-53326.0" y2="-26220.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom24" elementType="O" x2="-60471.0" y2="-13845.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom25" elementType="C" x2="-8279.0" y2="-26077.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom26" elementType="O" x2="-15424.0" y2="-21952.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom27" elementType="C" x2="-1134.0" y2="-21952.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom28" elementType="S" x2="-16497.0" y2="-1470.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom29" elementType="O" x2="-8247.0" y2="-1470.0" formalCharge="-1"/> <atom id="Chondroitin-sulfate-disaccharides-atom30" elementType="O" x2="-16497.0" y2="-9720.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom31" elementType="O" x2="-16497.0" y2="6780.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom32" elementType="S" x2="-45108.0" y2="-34327.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom33" elementType="O" x2="-53358.0" y2="-34327.0" formalCharge="-1"/> <atom id="Chondroitin-sulfate-disaccharides-atom34" elementType="O" x2="-45108.0" y2="-42577.0"/> <atom id="Chondroitin-sulfate-disaccharides-atom35" elementType="O" x2="-45108.0" y2="-26077.0"/> </atomArray> <bondArray> <bond id="Chondroitin-sulfate-disaccharides-bond1" atomRefs="Chondroitin-sulfate-disaccharides-atom1 Chondroitin-sulfate-disaccharides-atom2" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond2" atomRefs="Chondroitin-sulfate-disaccharides-atom2 Chondroitin-sulfate-disaccharides-atom3" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond3" atomRefs="Chondroitin-sulfate-disaccharides-atom3 Chondroitin-sulfate-disaccharides-atom4" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond4" atomRefs="Chondroitin-sulfate-disaccharides-atom4 Chondroitin-sulfate-disaccharides-atom5" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond5" atomRefs="Chondroitin-sulfate-disaccharides-atom5 Chondroitin-sulfate-disaccharides-atom6" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond6" atomRefs="Chondroitin-sulfate-disaccharides-atom1 Chondroitin-sulfate-disaccharides-atom6" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond7" atomRefs="Chondroitin-sulfate-disaccharides-atom4 Chondroitin-sulfate-disaccharides-atom7" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond8" atomRefs="Chondroitin-sulfate-disaccharides-atom8 Chondroitin-sulfate-disaccharides-atom7" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond9" atomRefs="Chondroitin-sulfate-disaccharides-atom13 Chondroitin-sulfate-disaccharides-atom8" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond10" atomRefs="Chondroitin-sulfate-disaccharides-atom9 Chondroitin-sulfate-disaccharides-atom8" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond11" atomRefs="Chondroitin-sulfate-disaccharides-atom9 Chondroitin-sulfate-disaccharides-atom10" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond12" atomRefs="Chondroitin-sulfate-disaccharides-atom10 Chondroitin-sulfate-disaccharides-atom11" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond13" atomRefs="Chondroitin-sulfate-disaccharides-atom11 Chondroitin-sulfate-disaccharides-atom12" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond14" atomRefs="Chondroitin-sulfate-disaccharides-atom12 Chondroitin-sulfate-disaccharides-atom13" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond15" atomRefs="Chondroitin-sulfate-disaccharides-atom6 Chondroitin-sulfate-disaccharides-atom14" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond16" atomRefs="Chondroitin-sulfate-disaccharides-atom5 Chondroitin-sulfate-disaccharides-atom15" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond17" atomRefs="Chondroitin-sulfate-disaccharides-atom13 Chondroitin-sulfate-disaccharides-atom16" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond18" atomRefs="Chondroitin-sulfate-disaccharides-atom11 Chondroitin-sulfate-disaccharides-atom17" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond19" atomRefs="Chondroitin-sulfate-disaccharides-atom10 Chondroitin-sulfate-disaccharides-atom18" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond20" atomRefs="Chondroitin-sulfate-disaccharides-atom12 Chondroitin-sulfate-disaccharides-atom19" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond21" atomRefs="Chondroitin-sulfate-disaccharides-atom3 Chondroitin-sulfate-disaccharides-atom20" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond22" atomRefs="Chondroitin-sulfate-disaccharides-atom2 Chondroitin-sulfate-disaccharides-atom21" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond23" atomRefs="Chondroitin-sulfate-disaccharides-atom21 Chondroitin-sulfate-disaccharides-atom22" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond24" atomRefs="Chondroitin-sulfate-disaccharides-atom18 Chondroitin-sulfate-disaccharides-atom23" order="2"/> <bond id="Chondroitin-sulfate-disaccharides-bond25" atomRefs="Chondroitin-sulfate-disaccharides-atom18 Chondroitin-sulfate-disaccharides-atom24" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond26" atomRefs="Chondroitin-sulfate-disaccharides-atom15 Chondroitin-sulfate-disaccharides-atom25" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond27" atomRefs="Chondroitin-sulfate-disaccharides-atom25 Chondroitin-sulfate-disaccharides-atom26" order="2"/> <bond id="Chondroitin-sulfate-disaccharides-bond28" atomRefs="Chondroitin-sulfate-disaccharides-atom25 Chondroitin-sulfate-disaccharides-atom27" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond29" atomRefs="Chondroitin-sulfate-disaccharides-atom16 Chondroitin-sulfate-disaccharides-atom28" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond30" atomRefs="Chondroitin-sulfate-disaccharides-atom28 Chondroitin-sulfate-disaccharides-atom29" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond31" atomRefs="Chondroitin-sulfate-disaccharides-atom28 Chondroitin-sulfate-disaccharides-atom30" order="2"/> <bond id="Chondroitin-sulfate-disaccharides-bond32" atomRefs="Chondroitin-sulfate-disaccharides-atom28 Chondroitin-sulfate-disaccharides-atom31" order="2"/> <bond id="Chondroitin-sulfate-disaccharides-bond33" atomRefs="Chondroitin-sulfate-disaccharides-atom20 Chondroitin-sulfate-disaccharides-atom32" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond34" atomRefs="Chondroitin-sulfate-disaccharides-atom32 Chondroitin-sulfate-disaccharides-atom33" order="1"/> <bond id="Chondroitin-sulfate-disaccharides-bond35" atomRefs="Chondroitin-sulfate-disaccharides-atom32 Chondroitin-sulfate-disaccharides-atom34" order="2"/> <bond id="Chondroitin-sulfate-disaccharides-bond36" atomRefs="Chondroitin-sulfate-disaccharides-atom32 Chondroitin-sulfate-disaccharides-atom35" order="2"/> </bondArray> <formula concise="H 21 S 2 N 1 C 14 O 18"/> <float title="molecularWeight" units="g/mol">555.436</float> <string title="smiles">C(O)(=O)C1(C(O)C(O)C(OS(=O)(=O)[O-])C(O1)OC2(C(NC(C)=O)C(O)OC(CO)C(OS(=O)(=O)[O-])2))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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