CHEBI:29004 - (3R)-3-isopropenyl-6-oxoheptanoyl-CoA

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ChEBI Name (3R)-3-isopropenyl-6-oxoheptanoyl-CoA ChEBI ID CHEBI:29004 ChEBI ASCII Name (3R)-3-isopropenyl-6-oxoheptanoyl-CoA Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-isopropenyl-6-oxoheptanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:203, CHEBI:18561 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-/m1/s1 InChIKey VMTHAXKUEKKCEY-PDQACDDGSA-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 (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has functional parent (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has functional parent heptanoyl-CoA (CHEBI:37283) (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has role mouse metabolite (CHEBI:75771) (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) is a branched-chain fatty acyl-CoA (CHEBI:61912) (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) is a monounsaturated fatty acyl-CoA (CHEBI:139575) (3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) 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-{[(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources (3R)-3-isopropenyl-6-oxoenanthoyl-CoA ChEBI (3R)-3-isopropenyl-6-oxoenanthoyl-coenzyme A ChEBI (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA KEGG COMPOUND (3R)-3-isopropenyl-6-oxoheptanoyl-coenzyme A ChEBI Manual Xrefs Databases c0678 UM-BBD C11407 KEGG COMPOUND View more database links Last Modified 05 February 2018