Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure131863
| Subject | Predicate | Object | Context |
|---|---|---|---|
| http://biocyc.org/biopax/bi... | rdf:type | biopax3:ChemicalStructure | lld:biopax3 |
| http://biocyc.org/biopax/bi... | biopax3:structureData | <cml> <molecule id="THF-GLU-N" title="a tetrahydrofolate-glutamate" formalCharge="0" dictRef="dictTHF-GLU-N"> <atomArray> <atom id="THF-GLU-N-atom1" elementType="H" x2="37499.0" y2="-40114.0"/> <atom id="THF-GLU-N-atom2" elementType="H" x2="0.0" y2="-17216.0"/> <atom id="THF-GLU-N-atom3" elementType="H" x2="43295.0" y2="-8789.0"/> <atom id="THF-GLU-N-atom4" elementType="N" x2="627.0" y2="0.0"/> <atom id="THF-GLU-N-atom5" elementType="O" x2="91329.0" y2="-58698.0"/> <atom id="THF-GLU-N-atom6" elementType="O" x2="89858.0" y2="-16075.0"/> <atom id="THF-GLU-N-atom7" elementType="O" x2="74222.0" y2="-17551.0"/> <atom id="THF-GLU-N-atom8" elementType="O" x2="14342.0" y2="-25661.0"/> <atom id="THF-GLU-N-atom9" elementType="C" x2="62721.0" y2="-38199.0"/> <atom id="THF-GLU-N-atom10" elementType="C" x2="62721.0" y2="-23890.0"/> <atom id="THF-GLU-N-atom11" elementType="C" x2="54163.0" y2="-38199.0"/> <atom id="THF-GLU-N-atom12" elementType="C" x2="54606.0" y2="-23890.0"/> <atom id="THF-GLU-N-atom13" elementType="C" x2="90890.0" y2="-44243.0"/> <atom id="THF-GLU-N-atom14" elementType="C" x2="94576.0" y2="-37461.0"/> <atom id="THF-GLU-N-atom15" elementType="C" x2="36023.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom16" elementType="C" x2="40890.0" y2="-21531.0"/> <atom id="THF-GLU-N-atom17" elementType="N" x2="14342.0" y2="-883.0"/> <atom id="THF-GLU-N-atom18" elementType="N" x2="29088.0" y2="-883.0"/> <atom id="THF-GLU-N-atom19" elementType="N" x2="82630.0" y2="-30824.0"/> <atom id="THF-GLU-N-atom20" elementType="N" x2="29088.0" y2="-17252.0"/> <atom id="THF-GLU-N-atom21" elementType="C" x2="95315.0" y2="-51177.0"/> <atom id="THF-GLU-N-atom22" elementType="C" x2="94282.0" y2="-23302.0"/> <atom id="THF-GLU-N-atom23" elementType="C" x2="74222.0" y2="-26104.0"/> <atom id="THF-GLU-N-atom24" elementType="C" x2="7409.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom25" elementType="C" x2="66700.0" y2="-31117.0"/> <atom id="THF-GLU-N-atom26" elementType="C" x2="50183.0" y2="-30973.0"/> <atom id="THF-GLU-N-atom27" elementType="C" x2="21863.0" y2="-5161.0"/> <atom id="THF-GLU-N-atom28" elementType="C" x2="21863.0" y2="-13122.0"/> <atom id="THF-GLU-N-atom29" elementType="C" x2="14342.0" y2="-17252.0"/> <atom id="THF-GLU-N-atom30" elementType="C" x2="90297.0" y2="-30824.0"/> <atom id="THF-GLU-N-atom31" elementType="N" x2="40890.0" y2="-30973.0"/> <atom id="THF-GLU-N-atom32" elementType="N" x2="7409.0" y2="-13122.0"/> <atom id="THF-GLU-N-atom33" elementType="C" x2="36023.0" y2="-13122.0"/> <atom id="THF-GLU-N-atom34" elementType="O" x2="102532.0" y2="-23302.0"/> <atom id="THF-GLU-N-atom35" elementType="R1" x2="103352.0" y2="-53040.0"/> </atomArray> <bondArray> <bond id="THF-GLU-N-bond1" atomRefs="THF-GLU-N-atom29 THF-GLU-N-atom32" order="1"/> <bond id="THF-GLU-N-bond2" atomRefs="THF-GLU-N-atom28 THF-GLU-N-atom29" order="1"/> <bond id="THF-GLU-N-bond3" atomRefs="THF-GLU-N-atom27 THF-GLU-N-atom28" order="2"/> <bond id="THF-GLU-N-bond4" atomRefs="THF-GLU-N-atom26 THF-GLU-N-atom31" order="1"/> <bond id="THF-GLU-N-bond5" atomRefs="THF-GLU-N-atom32 THF-GLU-N-atom24" order="2"/> <bond id="THF-GLU-N-bond6" atomRefs="THF-GLU-N-atom23 THF-GLU-N-atom25" order="1"/> <bond id="THF-GLU-N-bond7" atomRefs="THF-GLU-N-atom22 THF-GLU-N-atom30" order="1"/> <bond id="THF-GLU-N-bond8" atomRefs="THF-GLU-N-atom20 THF-GLU-N-atom33" order="1"/> <bond id="THF-GLU-N-bond9" atomRefs="THF-GLU-N-atom20 THF-GLU-N-atom28" order="1"/> <bond id="THF-GLU-N-bond10" atomRefs="THF-GLU-N-atom19 THF-GLU-N-atom30" order="1"/> <bond id="THF-GLU-N-bond11" atomRefs="THF-GLU-N-atom19 THF-GLU-N-atom23" order="1"/> <bond id="THF-GLU-N-bond12" atomRefs="THF-GLU-N-atom18 THF-GLU-N-atom27" order="1"/> <bond id="THF-GLU-N-bond13" atomRefs="THF-GLU-N-atom17 THF-GLU-N-atom27" order="1"/> <bond id="THF-GLU-N-bond14" atomRefs="THF-GLU-N-atom24 THF-GLU-N-atom17" order="1"/> <bond id="THF-GLU-N-bond15" atomRefs="THF-GLU-N-atom33 THF-GLU-N-atom16" order="1"/> <bond id="THF-GLU-N-bond16" atomRefs="THF-GLU-N-atom16 THF-GLU-N-atom31" order="1"/> <bond id="THF-GLU-N-bond17" atomRefs="THF-GLU-N-atom15 THF-GLU-N-atom33" order="1"/> <bond id="THF-GLU-N-bond18" atomRefs="THF-GLU-N-atom15 THF-GLU-N-atom18" order="1"/> <bond id="THF-GLU-N-bond19" atomRefs="THF-GLU-N-atom30 THF-GLU-N-atom14" order="1"/> <bond id="THF-GLU-N-bond20" atomRefs="THF-GLU-N-atom13 THF-GLU-N-atom21" order="1"/> <bond id="THF-GLU-N-bond21" atomRefs="THF-GLU-N-atom13 THF-GLU-N-atom14" order="1"/> <bond id="THF-GLU-N-bond22" atomRefs="THF-GLU-N-atom26 THF-GLU-N-atom12" order="2"/> <bond id="THF-GLU-N-bond23" atomRefs="THF-GLU-N-atom11 THF-GLU-N-atom26" order="1"/> <bond id="THF-GLU-N-bond24" atomRefs="THF-GLU-N-atom10 THF-GLU-N-atom25" order="2"/> <bond id="THF-GLU-N-bond25" atomRefs="THF-GLU-N-atom12 THF-GLU-N-atom10" order="1"/> <bond id="THF-GLU-N-bond26" atomRefs="THF-GLU-N-atom25 THF-GLU-N-atom9" order="1"/> <bond id="THF-GLU-N-bond27" atomRefs="THF-GLU-N-atom9 THF-GLU-N-atom11" order="2"/> <bond id="THF-GLU-N-bond28" atomRefs="THF-GLU-N-atom34 THF-GLU-N-atom22" order="1"/> <bond id="THF-GLU-N-bond29" atomRefs="THF-GLU-N-atom35 THF-GLU-N-atom21" order="1"/> <bond id="THF-GLU-N-bond30" atomRefs="THF-GLU-N-atom8 THF-GLU-N-atom29" order="2"/> <bond id="THF-GLU-N-bond31" atomRefs="THF-GLU-N-atom7 THF-GLU-N-atom23" order="2"/> <bond id="THF-GLU-N-bond32" atomRefs="THF-GLU-N-atom6 THF-GLU-N-atom22" order="2"/> <bond id="THF-GLU-N-bond33" atomRefs="THF-GLU-N-atom5 THF-GLU-N-atom21" order="2"/> <bond id="THF-GLU-N-bond34" atomRefs="THF-GLU-N-atom4 THF-GLU-N-atom24" order="1"/> <bond id="THF-GLU-N-bond35" atomRefs="THF-GLU-N-atom33 THF-GLU-N-atom3" order="1"/> <bond id="THF-GLU-N-bond36" atomRefs="THF-GLU-N-atom2 THF-GLU-N-atom32" order="1"/> <bond id="THF-GLU-N-bond37" atomRefs="THF-GLU-N-atom1 THF-GLU-N-atom31" order="1"/> </bondArray> <formula concise=""/> <float title="molecularWeight" units="g/mol">571.525</float> <string title="smiles">C1(NC3(NC(N)=[NH]C(=O)C(N[CH]1C[NH]C2(C=CC(=CC=2)C(=O)NC(CCC(=O)[R1])C(=O)O))=3))</string> </molecule> </cml> | lld:biopax3 |
| http://biocyc.org/biopax/bi... | biopax3:structureFormat | CML | lld:biopax3 |
| http://biocyc.org/biopax/bi... | biopax3:structure | http://biocyc.org/biopax/bi... | lld:biopax3 |