Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure157470
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="3-SULFINYL-PYRUVATE" title="3-sulfinyl-pyruvate" formalCharge="-2" dictRef="dict3-SULFINYL-PYRUVATE"> <atomArray> <atom id="3-SULFINYL-PYRUVATE-atom1" elementType="S" x2="1097.0" y2="-941.0"/> <atom id="3-SULFINYL-PYRUVATE-atom2" elementType="O" x2="-1051.0" y2="-1374.0"/> <atom id="3-SULFINYL-PYRUVATE-atom3" elementType="O" x2="-335.0" y2="-1767.0"/> <atom id="3-SULFINYL-PYRUVATE-atom4" elementType="O" x2="1097.0" y2="-1767.0"/> <atom id="3-SULFINYL-PYRUVATE-atom5" elementType="C" x2="381.0" y2="-531.0"/> <atom id="3-SULFINYL-PYRUVATE-atom6" elementType="O" x2="1761.0" y2="-444.0" formalCharge="-1"/> <atom id="3-SULFINYL-PYRUVATE-atom7" elementType="O" x2="-1767.0" y2="-953.0" formalCharge="-1"/> <atom id="3-SULFINYL-PYRUVATE-atom8" elementType="C" x2="-335.0" y2="-941.0"/> <atom id="3-SULFINYL-PYRUVATE-atom9" elementType="C" x2="-1051.0" y2="-549.0"/> </atomArray> <bondArray> <bond id="3-SULFINYL-PYRUVATE-bond1" atomRefs="3-SULFINYL-PYRUVATE-atom9 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond2" atomRefs="3-SULFINYL-PYRUVATE-atom7 3-SULFINYL-PYRUVATE-atom9" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond3" atomRefs="3-SULFINYL-PYRUVATE-atom5 3-SULFINYL-PYRUVATE-atom8" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond4" atomRefs="3-SULFINYL-PYRUVATE-atom4 3-SULFINYL-PYRUVATE-atom1" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond5" atomRefs="3-SULFINYL-PYRUVATE-atom3 3-SULFINYL-PYRUVATE-atom8" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond6" atomRefs="3-SULFINYL-PYRUVATE-atom2 3-SULFINYL-PYRUVATE-atom9" order="2"/> <bond id="3-SULFINYL-PYRUVATE-bond7" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom5" order="1"/> <bond id="3-SULFINYL-PYRUVATE-bond8" atomRefs="3-SULFINYL-PYRUVATE-atom1 3-SULFINYL-PYRUVATE-atom6" order="1"/> </bondArray> <formula concise="H 2 C 3 O 5 S 1"/> <float title="molecularWeight" units="g/mol">150.106</float> <string title="smiles">C(S([O-])=O)C(=O)C(=O)[O-]</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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