CHEBI:29489 - 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA ChEBI ID CHEBI:29489 Definition A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-isopropenyl-2-oxocyclohexane-1-carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H48N7O18P3S Net Charge 0 Average Mass 931.73648 Monoisotopic Mass 931.19894 InChI InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25+,29-/m1/s1 InChIKey RTPWRCREAVUAOI-KSYPWXJLSA-N SMILES CC(=C)C1CCC(C(=O)C1)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 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA (CHEBI:29489) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA (CHEBI:29489) has role mouse metabolite (CHEBI:75771) 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA (CHEBI:29489) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA (CHEBI:29489) is a acyl-CoA (CHEBI:17984) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[2-oxo-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA KEGG COMPOUND 4-isopropenyl-2-oxocyclohexane-1-carbonyl-coenzyme A ChEBI 4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA KEGG COMPOUND 4-isopropenyl-2-oxy-cyclohexanecarboxyl-coenzyme A ChEBI Manual Xref Database C11935 KEGG COMPOUND View more database links Last Modified 27 January 2016