CHEBI:28528 - 3-oxodecanoyl-CoA

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ChEBI Name 3-oxodecanoyl-CoA ChEBI ID CHEBI:28528 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 3-oxodecanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1633, CHEBI:20166 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 C31H52N7O18P3S Net Charge 0 Average Mass 935.76824 Monoisotopic Mass 935.23024 InChI InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1 InChIKey AZCVXMAPLHSIKY-HSJNEKGZSA-N SMILES CCCCCCCC(=O)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 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Escherichia coli (NCBI:txid562) See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent 3-oxodecanoic acid (CHEBI:37157) 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493) 3-oxodecanoyl-CoA (CHEBI:28528) has role Escherichia coli metabolite (CHEBI:76971) 3-oxodecanoyl-CoA (CHEBI:28528) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-oxodecanoyl-CoA (CHEBI:28528) has role human metabolite (CHEBI:77746) 3-oxodecanoyl-CoA (CHEBI:28528) has role mouse metabolite (CHEBI:75771) 3-oxodecanoyl-CoA (CHEBI:28528) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) 3-oxodecanoyl-CoA (CHEBI:28528) is conjugate acid of 3-oxodecanoyl-CoA(4−) (CHEBI:62548) Incoming 3-oxodecanoyl-CoA(4−) (CHEBI:62548) is conjugate base of 3-oxodecanoyl-CoA (CHEBI:28528) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3-ketodecanoyl-CoA ChEBI 3-ketodecanoyl-coenzyme A ChEBI 3-Oxodecanoyl-CoA KEGG COMPOUND 3-oxodecanoyl-coenzyme A ChEBI Manual Xrefs Databases C05265 KEGG COMPOUND CPD0-2123 MetaCyc HMDB0003939 HMDB View more database links Citation Type Source 344310 PubMed citation Europe PMC Last Modified 27 January 2016

General Comment 2011-04-22 An intermediate in fatty acid metabolism and a substrate of the enzymes beta-hydroxyacyl-CoA dehydrogenase and 3-hydroxyacyl-CoA dehydrogenase.