Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure161174
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biopax3:structureData |
<cml> <molecule id="Heparan-glucuronate-terminal" title="beta-D-glucuronosyl-[heparan sulfate]" formalCharge="-1" dictRef="dictHeparan-glucuronate-terminal"> <atomArray> <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"/> </atomArray> <bondArray> <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-glucuronate-terminal-bond6" atomRefs="Heparan-glucuronate-terminal-atom11 Heparan-glucuronate-terminal-atom4" order="1"/> <bond id="Heparan-glucuronate-terminal-bond7" atomRefs="Heparan-glucuronate-terminal-atom5 Heparan-glucuronate-terminal-atom13" order="2"/> <bond id="Heparan-glucuronate-terminal-bond8" atomRefs="Heparan-glucuronate-terminal-atom9 Heparan-glucuronate-terminal-atom6" order="1"/> <bond id="Heparan-glucuronate-terminal-bond9" atomRefs="Heparan-glucuronate-terminal-atom8 Heparan-glucuronate-terminal-atom9" order="1"/> <bond id="Heparan-glucuronate-terminal-bond10" atomRefs="Heparan-glucuronate-terminal-atom9 Heparan-glucuronate-terminal-atom10" order="1"/> <bond id="Heparan-glucuronate-terminal-bond11" atomRefs="Heparan-glucuronate-terminal-atom10 Heparan-glucuronate-terminal-atom11" order="1"/> <bond id="Heparan-glucuronate-terminal-bond12" atomRefs="Heparan-glucuronate-terminal-atom11 Heparan-glucuronate-terminal-atom12" order="1"/> <bond id="Heparan-glucuronate-terminal-bond13" atomRefs="Heparan-glucuronate-terminal-atom12 Heparan-glucuronate-terminal-atom13" order="1"/> <bond id="Heparan-glucuronate-terminal-bond14" atomRefs="Heparan-glucuronate-terminal-atom13 Heparan-glucuronate-terminal-atom14" order="1"/> </bondArray> <formula concise=""/> <string title="smiles">CC1(C(C(C(C([O-])=O)OC1O[heparan sulfate])O)O)</string> </molecule> </cml>
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biopax3:structureFormat |
CML
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