biopax-level3ChemicalStructure141158

Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure141158

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	biopax3:ChemicalStructure
biopax3:structureData	<cml> <molecule id="CPD0-1082" title="L-Ala-gamma-D-Glu-DAP-D-Ala" formalCharge="-1" dictRef="dictCPD0-1082"> <atomArray> <atom id="CPD0-1082-atom1" elementType="C" x2="-2021250.0" y2="-209200.0"/> <atom id="CPD0-1082-atom2" elementType="O" x2="-1949800.0" y2="-250450.0"/> <atom id="CPD0-1082-atom3" elementType="O" x2="-2092700.0" y2="-250450.0" formalCharge="-1"/> <atom id="CPD0-1082-atom4" elementType="C" x2="-2021250.0" y2="-126700.0"/> <atom id="CPD0-1082-atom5" elementType="C" x2="-1949800.0" y2="-85450.0"/> <atom id="CPD0-1082-atom6" elementType="N" x2="-2092700.0" y2="-85450.0" formalCharge="1"/> <atom id="CPD0-1082-atom7" elementType="C" x2="-1878360.0" y2="-126700.0"/> <atom id="CPD0-1082-atom8" elementType="C" x2="-1806910.0" y2="-85450.0"/> <atom id="CPD0-1082-atom9" elementType="C" x2="-1735460.0" y2="-126700.0"/> <atom id="CPD0-1082-atom10" elementType="C" x2="-1664010.0" y2="-85450.0"/> <atom id="CPD0-1082-atom11" elementType="N" x2="-1735460.0" y2="-209200.0"/> <atom id="CPD0-1082-atom12" elementType="C" x2="-1664010.0" y2="-250450.0"/> <atom id="CPD0-1082-atom13" elementType="C" x2="-1592570.0" y2="-209200.0"/> <atom id="CPD0-1082-atom14" elementType="C" x2="-1521120.0" y2="-250450.0"/> <atom id="CPD0-1082-atom15" elementType="O" x2="-1664010.0" y2="-332950.0"/> <atom id="CPD0-1082-atom16" elementType="C" x2="-1449670.0" y2="-209200.0"/> <atom id="CPD0-1082-atom17" elementType="C" x2="-1378230.0" y2="-250450.0"/> <atom id="CPD0-1082-atom18" elementType="O" x2="-1306780.0" y2="-209200.0" formalCharge="-1"/> <atom id="CPD0-1082-atom19" elementType="O" x2="-1378230.0" y2="-332950.0"/> <atom id="CPD0-1082-atom20" elementType="N" x2="-1449670.0" y2="-126700.0"/> <atom id="CPD0-1082-atom21" elementType="C" x2="-1408420.0" y2="-55250.0"/> <atom id="CPD0-1082-atom22" elementType="O" x2="-1449670.0" y2="16200.0"/> <atom id="CPD0-1082-atom23" elementType="C" x2="-1325920.0" y2="-55250.0"/> <atom id="CPD0-1082-atom24" elementType="N" x2="-1284670.0" y2="-126700.0" formalCharge="1"/> <atom id="CPD0-1082-atom25" elementType="C" x2="-1284670.0" y2="16200.0"/> <atom id="CPD0-1082-atom26" elementType="O" x2="-1592570.0" y2="-126700.0"/> <atom id="CPD0-1082-atom27" elementType="N" x2="-1664010.0" y2="-2950.0"/> <atom id="CPD0-1082-atom28" elementType="C" x2="-1664010.0" y2="79550.0"/> <atom id="CPD0-1082-atom29" elementType="C" x2="-1592570.0" y2="120800.0"/> <atom id="CPD0-1082-atom30" elementType="C" x2="-1735460.0" y2="120800.0"/> <atom id="CPD0-1082-atom31" elementType="O" x2="-1592570.0" y2="203300.0" formalCharge="-1"/> <atom id="CPD0-1082-atom32" elementType="O" x2="-1521120.0" y2="79550.0"/> </atomArray> <bondArray> <bond id="CPD0-1082-bond1" atomRefs="CPD0-1082-atom1 CPD0-1082-atom2" order="2"/> <bond id="CPD0-1082-bond2" atomRefs="CPD0-1082-atom1 CPD0-1082-atom3" order="1"/> <bond id="CPD0-1082-bond3" atomRefs="CPD0-1082-atom1 CPD0-1082-atom4" order="1"/> <bond id="CPD0-1082-bond4" atomRefs="CPD0-1082-atom4 CPD0-1082-atom5" order="1"/> <bond id="CPD0-1082-bond5" atomRefs="CPD0-1082-atom4 CPD0-1082-atom6" order="1"/> <bond id="CPD0-1082-bond6" atomRefs="CPD0-1082-atom5 CPD0-1082-atom7" order="1"/> <bond id="CPD0-1082-bond7" atomRefs="CPD0-1082-atom7 CPD0-1082-atom8" order="1"/> <bond id="CPD0-1082-bond8" atomRefs="CPD0-1082-atom8 CPD0-1082-atom9" order="1"/> <bond id="CPD0-1082-bond9" atomRefs="CPD0-1082-atom9 CPD0-1082-atom10" order="1"/> <bond id="CPD0-1082-bond10" atomRefs="CPD0-1082-atom9 CPD0-1082-atom11" order="1"/> <bond id="CPD0-1082-bond11" atomRefs="CPD0-1082-atom11 CPD0-1082-atom12" order="1"/> <bond id="CPD0-1082-bond12" atomRefs="CPD0-1082-atom12 CPD0-1082-atom13" order="1"/> <bond id="CPD0-1082-bond13" atomRefs="CPD0-1082-atom13 CPD0-1082-atom14" order="1"/> <bond id="CPD0-1082-bond14" atomRefs="CPD0-1082-atom12 CPD0-1082-atom15" order="2"/> <bond id="CPD0-1082-bond15" atomRefs="CPD0-1082-atom14 CPD0-1082-atom16" order="1"/> <bond id="CPD0-1082-bond16" atomRefs="CPD0-1082-atom16 CPD0-1082-atom17" order="1"/> <bond id="CPD0-1082-bond17" atomRefs="CPD0-1082-atom17 CPD0-1082-atom18" order="1"/> <bond id="CPD0-1082-bond18" atomRefs="CPD0-1082-atom17 CPD0-1082-atom19" order="2"/> <bond id="CPD0-1082-bond19" atomRefs="CPD0-1082-atom16 CPD0-1082-atom20" order="1"/> <bond id="CPD0-1082-bond20" atomRefs="CPD0-1082-atom20 CPD0-1082-atom21" order="1"/> <bond id="CPD0-1082-bond21" atomRefs="CPD0-1082-atom21 CPD0-1082-atom22" order="2"/> <bond id="CPD0-1082-bond22" atomRefs="CPD0-1082-atom21 CPD0-1082-atom23" order="1"/> <bond id="CPD0-1082-bond23" atomRefs="CPD0-1082-atom23 CPD0-1082-atom24" order="1"/> <bond id="CPD0-1082-bond24" atomRefs="CPD0-1082-atom23 CPD0-1082-atom25" order="1"/> <bond id="CPD0-1082-bond25" atomRefs="CPD0-1082-atom10 CPD0-1082-atom26" order="2"/> <bond id="CPD0-1082-bond26" atomRefs="CPD0-1082-atom10 CPD0-1082-atom27" order="1"/> <bond id="CPD0-1082-bond27" atomRefs="CPD0-1082-atom27 CPD0-1082-atom28" order="1"/> <bond id="CPD0-1082-bond28" atomRefs="CPD0-1082-atom28 CPD0-1082-atom29" order="1"/> <bond id="CPD0-1082-bond29" atomRefs="CPD0-1082-atom28 CPD0-1082-atom30" order="1"/> <bond id="CPD0-1082-bond30" atomRefs="CPD0-1082-atom29 CPD0-1082-atom31" order="1"/> <bond id="CPD0-1082-bond31" atomRefs="CPD0-1082-atom29 CPD0-1082-atom32" order="2"/> </bondArray> <formula concise="H 30 N 5 O 9 C 18"/> <float title="molecularWeight" units="g/mol">460.463</float> <string title="smiles">C(C([N+])CCCC(NC(=O)CCC(NC(C(C)[N+])=O)C(=O)[O-])C(NC(C)C(=O)[O-])=O)([O-])=O</string> </molecule> </cml>
biopax3:structureFormat	CML