Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure136880
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="CPD-5881" title="4alpha-hydroxy-tetrahydrobiopterin" formalCharge="0" dictRef="dictCPD-5881"> <atomArray> <atom id="CPD-5881-atom1" elementType="C" x2="5716.0" y2="-1650.0"/> <atom id="CPD-5881-atom2" elementType="N" x2="0.0" y2="0.0"/> <atom id="CPD-5881-atom3" elementType="O" x2="1429.0" y2="-2475.0"/> <atom id="CPD-5881-atom4" elementType="O" x2="5001.0" y2="-412.0"/> <atom id="CPD-5881-atom5" elementType="O" x2="5001.0" y2="-2062.0"/> <atom id="CPD-5881-atom6" elementType="O" x2="2143.0" y2="-2062.0"/> <atom id="CPD-5881-atom7" elementType="C" x2="3572.0" y2="-412.0"/> <atom id="CPD-5881-atom8" elementType="N" x2="714.0" y2="-1238.0"/> <atom id="CPD-5881-atom9" elementType="N" x2="1429.0" y2="0.0"/> <atom id="CPD-5881-atom10" elementType="N" x2="2858.0" y2="0.0"/> <atom id="CPD-5881-atom11" elementType="N" x2="2858.0" y2="-1650.0"/> <atom id="CPD-5881-atom12" elementType="C" x2="714.0" y2="-412.0"/> <atom id="CPD-5881-atom13" elementType="C" x2="1429.0" y2="-1650.0"/> <atom id="CPD-5881-atom14" elementType="C" x2="2143.0" y2="-412.0"/> <atom id="CPD-5881-atom15" elementType="C" x2="3572.0" y2="-1238.0"/> <atom id="CPD-5881-atom16" elementType="C" x2="5001.0" y2="-1238.0"/> <atom id="CPD-5881-atom17" elementType="C" x2="4287.0" y2="-1650.0"/> <atom id="CPD-5881-atom18" elementType="C" x2="2143.0" y2="-1238.0"/> </atomArray> <bondArray> <bond id="CPD-5881-bond1" atomRefs="CPD-5881-atom16 CPD-5881-atom17" order="1"/> <bond id="CPD-5881-bond2" atomRefs="CPD-5881-atom15 CPD-5881-atom17" order="1"/> <bond id="CPD-5881-bond3" atomRefs="CPD-5881-atom14 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond4" atomRefs="CPD-5881-atom13 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond5" atomRefs="CPD-5881-atom11 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond6" atomRefs="CPD-5881-atom11 CPD-5881-atom15" order="1"/> <bond id="CPD-5881-bond7" atomRefs="CPD-5881-atom10 CPD-5881-atom14" order="1"/> <bond id="CPD-5881-bond8" atomRefs="CPD-5881-atom9 CPD-5881-atom14" order="2"/> <bond id="CPD-5881-bond9" atomRefs="CPD-5881-atom9 CPD-5881-atom12" order="1"/> <bond id="CPD-5881-bond10" atomRefs="CPD-5881-atom8 CPD-5881-atom13" order="1"/> <bond id="CPD-5881-bond11" atomRefs="CPD-5881-atom8 CPD-5881-atom12" order="2"/> <bond id="CPD-5881-bond12" atomRefs="CPD-5881-atom7 CPD-5881-atom15" order="1"/> <bond id="CPD-5881-bond13" atomRefs="CPD-5881-atom7 CPD-5881-atom10" order="1"/> <bond id="CPD-5881-bond14" atomRefs="CPD-5881-atom6 CPD-5881-atom18" order="1"/> <bond id="CPD-5881-bond15" atomRefs="CPD-5881-atom17 CPD-5881-atom5" order="1"/> <bond id="CPD-5881-bond16" atomRefs="CPD-5881-atom16 CPD-5881-atom4" order="1"/> <bond id="CPD-5881-bond17" atomRefs="CPD-5881-atom3 CPD-5881-atom13" order="2"/> <bond id="CPD-5881-bond18" atomRefs="CPD-5881-atom2 CPD-5881-atom12" order="1"/> <bond id="CPD-5881-bond19" atomRefs="CPD-5881-atom1 CPD-5881-atom16" order="1"/> </bondArray> <formula concise="H 15 O 4 N 5 C 9"/> <float title="molecularWeight" units="g/mol">257.249</float> <string title="smiles">CC(O)C(O)C1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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