CHEBI:212 - (3S)-3-isopropenyl-6-oxoheptanoyl-CoA

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ChEBI Name (3S)-3-isopropenyl-6-oxoheptanoyl-CoA ChEBI ID CHEBI:212 ChEBI ASCII Name (3S)-3-isopropenyl-6-oxoheptanoyl-CoA Definition An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of (3S)-3-isopropenyl-6-oxoheptanoic 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 C31H50N7O18P3S Net Charge 0 Average Mass 933.75236 Monoisotopic Mass 933.21459 InChI InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26-,30+/m0/s1 InChIKey VMTHAXKUEKKCEY-PNPVFPMQSA-N SMILES CC(=O)CC[C@@H](CC(=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)C(C)=C 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 (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has functional parent (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has functional parent heptanoyl-CoA (CHEBI:37283) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has role mouse metabolite (CHEBI:75771) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) is a branched-chain fatty acyl-CoA (CHEBI:61912) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) is a monounsaturated fatty acyl-CoA (CHEBI:139575) (3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) is a oxo-fatty acyl-CoA (CHEBI:61903) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3S)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources (3S)-3-isopropenyl-6-oxoenanthoyl-CoA ChEBI (3S)-3-isopropenyl-6-oxoenanthoyl-coenzyme A ChEBI (3S)-3-Isopropenyl-6-oxoheptanoyl-CoA KEGG COMPOUND (3S)-3-isopropenyl-6-oxoheptanoyl-coenzyme A ChEBI Manual Xref Database C11421 KEGG COMPOUND View more database links Last Modified 05 February 2018