Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure132338
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="L-GAMMA-GLUTAMYLCYSTEINE" title="L-gamma-glutamylcysteine" formalCharge="-1" dictRef="dictL-GAMMA-GLUTAMYLCYSTEINE"> <atomArray> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom1" elementType="C" x2="-1788.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom2" elementType="O" x2="349.0" y2="-1185.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom3" elementType="O" x2="-3226.0" y2="-2412.0" formalCharge="-1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom4" elementType="C" x2="1756.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom5" elementType="C" x2="-2507.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom6" elementType="C" x2="1756.0" y2="-1047.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom7" elementType="C" x2="-1058.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom8" elementType="N" x2="-1788.0" y2="-3226.0" formalCharge="1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom9" elementType="O" x2="-2507.0" y2="-1185.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom10" elementType="N" x2="1069.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom11" elementType="C" x2="-370.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom12" elementType="C" x2="349.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom13" elementType="C" x2="2486.0" y2="-2401.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom14" elementType="S" x2="3216.0" y2="-2010.0"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom15" elementType="O" x2="2470.0" y2="-634.0" formalCharge="-1"/> <atom id="L-GAMMA-GLUTAMYLCYSTEINE-atom16" elementType="O" x2="1042.0" y2="-634.0"/> </atomArray> <bondArray> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond1" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom14 L-GAMMA-GLUTAMYLCYSTEINE-atom13" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond2" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom13 L-GAMMA-GLUTAMYLCYSTEINE-atom4" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond3" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom12 L-GAMMA-GLUTAMYLCYSTEINE-atom10" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond4" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom11 L-GAMMA-GLUTAMYLCYSTEINE-atom12" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond5" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom10 L-GAMMA-GLUTAMYLCYSTEINE-atom4" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond6" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom9 L-GAMMA-GLUTAMYLCYSTEINE-atom5" order="2"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond7" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom8 L-GAMMA-GLUTAMYLCYSTEINE-atom1" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond8" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom7 L-GAMMA-GLUTAMYLCYSTEINE-atom11" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond9" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom6 L-GAMMA-GLUTAMYLCYSTEINE-atom4" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond10" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom5 L-GAMMA-GLUTAMYLCYSTEINE-atom1" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond11" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom3 L-GAMMA-GLUTAMYLCYSTEINE-atom5" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond12" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom2 L-GAMMA-GLUTAMYLCYSTEINE-atom12" order="2"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond13" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom1 L-GAMMA-GLUTAMYLCYSTEINE-atom7" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond14" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom6 L-GAMMA-GLUTAMYLCYSTEINE-atom15" order="1"/> <bond id="L-GAMMA-GLUTAMYLCYSTEINE-bond15" atomRefs="L-GAMMA-GLUTAMYLCYSTEINE-atom6 L-GAMMA-GLUTAMYLCYSTEINE-atom16" order="2"/> </bondArray> <formula concise="H 13 S 1 N 2 O 5 C 8"/> <float title="molecularWeight" units="g/mol">249.261</float> <string title="smiles">C(=O)([O-])C(NC(=O)CCC(C([O-])=O)[N+])CS</string> </molecule> </cml>
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| biopax3:structureFormat |
CML
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