Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure165076
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<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>
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| biopax3:structureFormat |
CML
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