biopax-level3ChemicalStructure131725

Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure131725

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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="DEAMIDO-NAD" title="nicotinate adenine dinucleotide" formalCharge="-2" dictRef="dictDEAMIDO-NAD"> <atomArray> <atom id="DEAMIDO-NAD-atom1" elementType="C" x2="32994.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom2" elementType="O" x2="-17392.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom3" elementType="C" x2="57924.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom4" elementType="N" x2="40526.0" y2="-41605.0" formalCharge="1"/> <atom id="DEAMIDO-NAD-atom5" elementType="O" x2="-28689.0" y2="-53436.0"/> <atom id="DEAMIDO-NAD-atom6" elementType="C" x2="-49313.0" y2="-17931.0"/> <atom id="DEAMIDO-NAD-atom7" elementType="O" x2="5021.0" y2="-38015.0"/> <atom id="DEAMIDO-NAD-atom8" elementType="O" x2="27616.0" y2="-62763.0"/> <atom id="DEAMIDO-NAD-atom9" elementType="O" x2="32097.0" y2="-45547.0"/> <atom id="DEAMIDO-NAD-atom10" elementType="C" x2="48955.0" y2="-27973.0"/> <atom id="DEAMIDO-NAD-atom11" elementType="N" x2="-42861.0" y2="-26718.0"/> <atom id="DEAMIDO-NAD-atom12" elementType="C" x2="36942.0" y2="-58282.0"/> <atom id="DEAMIDO-NAD-atom13" elementType="C" x2="-39095.0" y2="-48955.0"/> <atom id="DEAMIDO-NAD-atom14" elementType="C" x2="40526.0" y2="-50028.0"/> <atom id="DEAMIDO-NAD-atom15" elementType="C" x2="-25821.0" y2="-41605.0"/> <atom id="DEAMIDO-NAD-atom16" elementType="O" x2="36942.0" y2="-62763.0"/> <atom id="DEAMIDO-NAD-atom17" elementType="O" x2="-2511.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom18" elementType="O" x2="-39095.0" y2="-56305.0"/> <atom id="DEAMIDO-NAD-atom19" elementType="C" x2="41066.0" y2="-23134.0"/> <atom id="DEAMIDO-NAD-atom20" elementType="N" x2="-62763.0" y2="-17931.0"/> <atom id="DEAMIDO-NAD-atom21" elementType="C" x2="-42861.0" y2="-41605.0"/> <atom id="DEAMIDO-NAD-atom22" elementType="C" x2="48955.0" y2="-36760.0"/> <atom id="DEAMIDO-NAD-atom23" elementType="O" x2="-10940.0" y2="-53436.0" formalCharge="-1"/> <atom id="DEAMIDO-NAD-atom24" elementType="P" x2="-10940.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom25" elementType="C" x2="20084.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom26" elementType="O" x2="13808.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom27" elementType="C" x2="-23310.0" y2="-47882.0"/> <atom id="DEAMIDO-NAD-atom28" elementType="O" x2="5021.0" y2="-53436.0" formalCharge="-1"/> <atom id="DEAMIDO-NAD-atom29" elementType="O" x2="-10940.0" y2="-38015.0"/> <atom id="DEAMIDO-NAD-atom30" elementType="O" x2="62223.0" y2="-34432.0" formalCharge="-1"/> <atom id="DEAMIDO-NAD-atom31" elementType="C" x2="23492.0" y2="-50750.0"/> <atom id="DEAMIDO-NAD-atom32" elementType="N" x2="-42861.0" y2="-14705.0"/> <atom id="DEAMIDO-NAD-atom33" elementType="O" x2="-34965.0" y2="-35329.0"/> <atom id="DEAMIDO-NAD-atom34" elementType="C" x2="27616.0" y2="-58282.0"/> <atom id="DEAMIDO-NAD-atom35" elementType="C" x2="32994.0" y2="-36760.0"/> <atom id="DEAMIDO-NAD-atom36" elementType="N" x2="-56305.0" y2="-6816.0"/> <atom id="DEAMIDO-NAD-atom37" elementType="C" x2="-29411.0" y2="-48955.0"/> <atom id="DEAMIDO-NAD-atom38" elementType="P" x2="5021.0" y2="-45729.0"/> <atom id="DEAMIDO-NAD-atom39" elementType="C" x2="-49313.0" y2="-25821.0"/> <atom id="DEAMIDO-NAD-atom40" elementType="C" x2="-62763.0" y2="-25821.0"/> <atom id="DEAMIDO-NAD-atom41" elementType="O" x2="62581.0" y2="-21697.0"/> <atom id="DEAMIDO-NAD-atom42" elementType="C" x2="-56305.0" y2="-14166.0"/> <atom id="DEAMIDO-NAD-atom43" elementType="N" x2="-56305.0" y2="-29586.0"/> <atom id="DEAMIDO-NAD-atom44" elementType="C" x2="-37300.0" y2="-20624.0"/> </atomArray> <bondArray> <bond id="DEAMIDO-NAD-bond1" atomRefs="DEAMIDO-NAD-atom44 DEAMIDO-NAD-atom11" order="1"/> <bond id="DEAMIDO-NAD-bond2" atomRefs="DEAMIDO-NAD-atom43 DEAMIDO-NAD-atom40" order="1"/> <bond id="DEAMIDO-NAD-bond3" atomRefs="DEAMIDO-NAD-atom42 DEAMIDO-NAD-atom6" order="2"/> <bond id="DEAMIDO-NAD-bond4" atomRefs="DEAMIDO-NAD-atom41 DEAMIDO-NAD-atom3" order="2"/> <bond id="DEAMIDO-NAD-bond5" atomRefs="DEAMIDO-NAD-atom40 DEAMIDO-NAD-atom20" order="2"/> <bond id="DEAMIDO-NAD-bond6" atomRefs="DEAMIDO-NAD-atom39 DEAMIDO-NAD-atom43" order="2"/> <bond id="DEAMIDO-NAD-bond7" atomRefs="DEAMIDO-NAD-atom38 DEAMIDO-NAD-atom17" order="1"/> <bond id="DEAMIDO-NAD-bond8" atomRefs="DEAMIDO-NAD-atom37 DEAMIDO-NAD-atom13" order="1"/> <bond id="DEAMIDO-NAD-bond9" atomRefs="DEAMIDO-NAD-atom36 DEAMIDO-NAD-atom42" order="1"/> <bond id="DEAMIDO-NAD-bond10" atomRefs="DEAMIDO-NAD-atom35 DEAMIDO-NAD-atom4" order="2"/> <bond id="DEAMIDO-NAD-bond11" atomRefs="DEAMIDO-NAD-atom33 DEAMIDO-NAD-atom21" order="1"/> <bond id="DEAMIDO-NAD-bond12" atomRefs="DEAMIDO-NAD-atom32 DEAMIDO-NAD-atom44" order="2"/> <bond id="DEAMIDO-NAD-bond13" atomRefs="DEAMIDO-NAD-atom31 DEAMIDO-NAD-atom25" order="1"/> <bond id="DEAMIDO-NAD-bond14" atomRefs="DEAMIDO-NAD-atom31 DEAMIDO-NAD-atom34" order="1"/> <bond id="DEAMIDO-NAD-bond15" atomRefs="DEAMIDO-NAD-atom30 DEAMIDO-NAD-atom3" order="1"/> <bond id="DEAMIDO-NAD-bond16" atomRefs="DEAMIDO-NAD-atom29 DEAMIDO-NAD-atom24" order="2"/> <bond id="DEAMIDO-NAD-bond17" atomRefs="DEAMIDO-NAD-atom28 DEAMIDO-NAD-atom38" order="1"/> <bond id="DEAMIDO-NAD-bond18" atomRefs="DEAMIDO-NAD-atom27 DEAMIDO-NAD-atom15" order="1"/> <bond id="DEAMIDO-NAD-bond19" atomRefs="DEAMIDO-NAD-atom26 DEAMIDO-NAD-atom38" order="1"/> <bond id="DEAMIDO-NAD-bond20" atomRefs="DEAMIDO-NAD-atom25 DEAMIDO-NAD-atom26" order="1"/> <bond id="DEAMIDO-NAD-bond21" atomRefs="DEAMIDO-NAD-atom24 DEAMIDO-NAD-atom2" order="1"/> <bond id="DEAMIDO-NAD-bond22" atomRefs="DEAMIDO-NAD-atom23 DEAMIDO-NAD-atom24" order="1"/> <bond id="DEAMIDO-NAD-bond23" atomRefs="DEAMIDO-NAD-atom22 DEAMIDO-NAD-atom10" order="2"/> <bond id="DEAMIDO-NAD-bond24" atomRefs="DEAMIDO-NAD-atom21 DEAMIDO-NAD-atom11" order="1"/> <bond id="DEAMIDO-NAD-bond25" atomRefs="DEAMIDO-NAD-atom21 DEAMIDO-NAD-atom13" order="1"/> <bond id="DEAMIDO-NAD-bond26" atomRefs="DEAMIDO-NAD-atom20 DEAMIDO-NAD-atom42" order="1"/> <bond id="DEAMIDO-NAD-bond27" atomRefs="DEAMIDO-NAD-atom19 DEAMIDO-NAD-atom1" order="2"/> <bond id="DEAMIDO-NAD-bond28" atomRefs="DEAMIDO-NAD-atom18 DEAMIDO-NAD-atom13" order="1"/> <bond id="DEAMIDO-NAD-bond29" atomRefs="DEAMIDO-NAD-atom17 DEAMIDO-NAD-atom24" order="1"/> <bond id="DEAMIDO-NAD-bond30" atomRefs="DEAMIDO-NAD-atom16 DEAMIDO-NAD-atom12" order="1"/> <bond id="DEAMIDO-NAD-bond31" atomRefs="DEAMIDO-NAD-atom15 DEAMIDO-NAD-atom33" order="1"/> <bond id="DEAMIDO-NAD-bond32" atomRefs="DEAMIDO-NAD-atom15 DEAMIDO-NAD-atom37" order="1"/> <bond id="DEAMIDO-NAD-bond33" atomRefs="DEAMIDO-NAD-atom14 DEAMIDO-NAD-atom9" order="1"/> <bond id="DEAMIDO-NAD-bond34" atomRefs="DEAMIDO-NAD-atom14 DEAMIDO-NAD-atom12" order="1"/> <bond id="DEAMIDO-NAD-bond35" atomRefs="DEAMIDO-NAD-atom12 DEAMIDO-NAD-atom34" order="1"/> <bond id="DEAMIDO-NAD-bond36" atomRefs="DEAMIDO-NAD-atom11 DEAMIDO-NAD-atom39" order="1"/> <bond id="DEAMIDO-NAD-bond37" atomRefs="DEAMIDO-NAD-atom10 DEAMIDO-NAD-atom19" order="1"/> <bond id="DEAMIDO-NAD-bond38" atomRefs="DEAMIDO-NAD-atom9 DEAMIDO-NAD-atom31" order="1"/> <bond id="DEAMIDO-NAD-bond39" atomRefs="DEAMIDO-NAD-atom8 DEAMIDO-NAD-atom34" order="1"/> <bond id="DEAMIDO-NAD-bond40" atomRefs="DEAMIDO-NAD-atom7 DEAMIDO-NAD-atom38" order="2"/> <bond id="DEAMIDO-NAD-bond41" atomRefs="DEAMIDO-NAD-atom6 DEAMIDO-NAD-atom39" order="1"/> <bond id="DEAMIDO-NAD-bond42" atomRefs="DEAMIDO-NAD-atom6 DEAMIDO-NAD-atom32" order="1"/> <bond id="DEAMIDO-NAD-bond43" atomRefs="DEAMIDO-NAD-atom5 DEAMIDO-NAD-atom37" order="1"/> <bond id="DEAMIDO-NAD-bond44" atomRefs="DEAMIDO-NAD-atom4 DEAMIDO-NAD-atom22" order="1"/> <bond id="DEAMIDO-NAD-bond45" atomRefs="DEAMIDO-NAD-atom4 DEAMIDO-NAD-atom14" order="1"/> <bond id="DEAMIDO-NAD-bond46" atomRefs="DEAMIDO-NAD-atom3 DEAMIDO-NAD-atom10" order="1"/> <bond id="DEAMIDO-NAD-bond47" atomRefs="DEAMIDO-NAD-atom2 DEAMIDO-NAD-atom27" order="1"/> <bond id="DEAMIDO-NAD-bond48" atomRefs="DEAMIDO-NAD-atom1 DEAMIDO-NAD-atom35" order="1"/> </bondArray> <formula concise="H 24 P 2 N 6 O 15 C 21"/> <float title="molecularWeight" units="g/mol">662.399</float> <string title="smiles">C(OP(=O)([O-])OP([O-])(OCC3(C(O)C(O)C(N1(C2(C(N=C1)=C(N=CN=2)N)))O3))=O)C5(OC([N+]4(C=C(C([O-])=O)C=CC=4))C(C(O)5)O)</string> </molecule> </cml>
biopax3:structureFormat	CML