CHEBI:50570 - trans-2-octadecenoyl-CoA

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ChEBI Name trans-2-octadecenoyl-CoA ChEBI ID CHEBI:50570 ChEBI ASCII Name trans-2-octadecenoyl-CoA Definition An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-octadecenoic 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 C39H68N7O17P3S Net Charge 0 Average Mass 1031.98148 Monoisotopic Mass 1031.36053 InChI InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34+,38-/m1/s1 InChIKey NBCCUIHOHUKBMK-ZDDAFBBHSA-N SMILES CCCCCCCCCCCCCCC\C=C\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 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 trans-2-octadecenoyl-CoA (CHEBI:50570) has functional parent trans-octadec-2-enoic acid (CHEBI:50572) trans-2-octadecenoyl-CoA (CHEBI:50570) has role Escherichia coli metabolite (CHEBI:76971) trans-2-octadecenoyl-CoA (CHEBI:50570) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) trans-2-octadecenoyl-CoA (CHEBI:50570) has role human metabolite (CHEBI:77746) trans-2-octadecenoyl-CoA (CHEBI:50570) has role mouse metabolite (CHEBI:75771) trans-2-octadecenoyl-CoA (CHEBI:50570) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) trans-2-octadecenoyl-CoA (CHEBI:50570) is a trans-2-enoyl-CoA (CHEBI:50998) trans-2-octadecenoyl-CoA (CHEBI:50570) is a octadecenoyl-CoA (CHEBI:139574) trans-2-octadecenoyl-CoA (CHEBI:50570) is conjugate acid of trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) Incoming trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) is conjugate base of trans-2-octadecenoyl-CoA (CHEBI:50570) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (2E)-Octadecenoyl-CoA KEGG COMPOUND (E)-2-octadecenoyl-CoA ChEBI (E)-2-octadecenoyl-coenzyme A ChEBI (E)-octadec-2-enoyl-CoA ChEBI (E)-octadec-2-enoyl-coenzyme A ChEBI trans-octadec-2-enoyl-CoA ChEBI trans-Octadec-2-enoyl-CoA KEGG COMPOUND trans-octadec-2-enoyl-coenzyme A ChEBI Manual Xref Database C16218 KEGG COMPOUND View more database links Citation Type Source 30485 PubMed citation Europe PMC Last Modified 02 February 2018