CHEBI:50571 - 3-oxooctadecanoyl-CoA

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ChEBI Name 3-oxooctadecanoyl-CoA ChEBI ID CHEBI:50571 Definition A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxooctadecanoic 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 C39H68N7O18P3S Net Charge 0 Average Mass 1047.98088 Monoisotopic Mass 1047.35544 InChI InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t28-,32-,33-,34+,38-/m1/s1 InChIKey LGOGWHDPDVAUNY-LFZQUHGESA-N SMILES CCCCCCCCCCCCCCCC(=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-oxooctadecanoyl-CoA (CHEBI:50571) has functional parent 3-oxooctadecanoic acid (CHEBI:50576) 3-oxooctadecanoyl-CoA (CHEBI:50571) has functional parent coenzyme A (CHEBI:15346) 3-oxooctadecanoyl-CoA (CHEBI:50571) has role Escherichia coli metabolite (CHEBI:76971) 3-oxooctadecanoyl-CoA (CHEBI:50571) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-oxooctadecanoyl-CoA (CHEBI:50571) has role human metabolite (CHEBI:77746) 3-oxooctadecanoyl-CoA (CHEBI:50571) has role mouse metabolite (CHEBI:75771) 3-oxooctadecanoyl-CoA (CHEBI:50571) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599) 3-oxooctadecanoyl-CoA (CHEBI:50571) is conjugate acid of 3-oxooctadecanoyl-CoA(4−) (CHEBI:71407) Incoming 3-oxooctadecanoyl-CoA(4−) (CHEBI:71407) is conjugate base of 3-oxooctadecanoyl-CoA (CHEBI:50571) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3-Ketostearoyl-CoA KEGG COMPOUND 3-Oxooctadecanoyl-CoA KEGG COMPOUND 3-oxooctadecanoyl-coenzyme A ChEBI 3-oxostearoyl-CoA ChEBI 3-oxostearoyl-coenzyme A ChEBI beta-Ketostearoyl-CoA KEGG COMPOUND β-ketostearoyl-coenzyme A ChEBI Manual Xrefs Databases C16216 KEGG COMPOUND CPD-10260 MetaCyc HMDB0006498 HMDB View more database links Citations Types Sources 2573353 PubMed citation Europe PMC 2692567 PubMed citation Europe PMC 30485 PubMed citation Europe PMC 3527064 PubMed citation Europe PMC 6404652 PubMed citation Europe PMC Last Modified 04 July 2017

General Comment 2011-05-30 A metabolite intermediate in the microsomal fatty acid chain elongation system.