{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","metadata_def":"http://data.bioontology.org/metadata/def/","ns1":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_72006","@type":"owl:Class","rdfs:subClassOf":[{"@id":"obo_purl:CHEBI_18059"},{"@id":"obo_purl:CHEBI_26020"},{"@id":"obo_purl:CHEBI_24532"},{"@id":"obo_purl:CHEBI_37622"}],"rdfs:label":"(E)-isoheptadec-2-enoyl-CoA","skos:notation":"CHEBI:72006","obo_purl:IAO_0000115":"A methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-isoheptadec-2-enoic acid.","oboinowl_gen:hasExactSynonym":"3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}","oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:72006","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"metadata_def:prefLabel":"(E)-isoheptadec-2-enoyl-CoA","oboinowl_gen:hasRelatedSynonym":["(E)-15-methylhexadec-2-enoyl-CoA","(E)-15-methylhexadec-2-enoyl-coenzyme A","(E)-isoheptadec-2-enoyl-coenzyme A"],"metadata_def:mappingLoom":"eisoheptadec2enoylcoa","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_72006"},"ns1:charge":"0","ns1:formula":"C38H66N7O17P3S","ns1:inchi":"InChI=1S/C38H66N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h15,17,24-27,31-33,37,48-49H,5-14,16,18-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b17-15+/t27-,31-,32-,33+,37-/m1/s1","ns1:inchikey":"VBRJJZPJXKSQLS-ISKWTRNVSA-N","ns1:mass":"1017.95400","ns1:monoisotopicmass":"1017.34488","ns1:smiles":"CC(C)CCCCCCCCCCC\\C=C\\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12"}
{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","metadata_def":"http://data.bioontology.org/metadata/def/","ns1":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_72006","@type":"owl:Class","rdfs:subClassOf":[{"@id":"obo_purl:CHEBI_18059"},{"@id":"obo_purl:CHEBI_26020"},{"@id":"obo_purl:CHEBI_24532"},{"@id":"obo_purl:CHEBI_37622"}],"rdfs:label":"(E)-isoheptadec-2-enoyl-CoA","skos:notation":"CHEBI:72006","obo_purl:IAO_0000115":"A methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-isoheptadec-2-enoic acid.","oboinowl_gen:hasExactSynonym":"3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}","oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:72006","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"metadata_def:prefLabel":"(E)-isoheptadec-2-enoyl-CoA","oboinowl_gen:hasRelatedSynonym":["(E)-15-methylhexadec-2-enoyl-CoA","(E)-15-methylhexadec-2-enoyl-coenzyme A","(E)-isoheptadec-2-enoyl-coenzyme A"],"metadata_def:mappingLoom":"eisoheptadec2enoylcoa","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_72006"},"ns1:charge":"0","ns1:formula":"C38H66N7O17P3S","ns1:inchi":"InChI=1S/C38H66N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h15,17,24-27,31-33,37,48-49H,5-14,16,18-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b17-15+/t27-,31-,32-,33+,37-/m1/s1","ns1:inchikey":"VBRJJZPJXKSQLS-ISKWTRNVSA-N","ns1:mass":"1017.95400","ns1:monoisotopicmass":"1017.34488","ns1:smiles":"CC(C)CCCCCCCCCCC\\C=C\\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12"}