Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure170616
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<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>
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| biopax3:structureFormat |
CML
|