CHEBI:57387 - oleoyl-CoA(4−)

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ChEBI Name oleoyl-CoA(4−)
ChEBI ID CHEBI:57387
ChEBI ASCII Name oleoyl-CoA(4-)
Definition An octadecenoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of oleoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H64N7O17P3S
Net Charge -4
Average Mass 1027.94800
Monoisotopic Mass 1027.329
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/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKey XDUHQPOXLUAVEE-BPMMELMSSA-J
SMILES CCCCCCCC\C=C/CCCCCCCC(=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
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing oleoyl-CoA(4−) (CHEBI:57387) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
oleoyl-CoA(4−) (CHEBI:57387) has role human metabolite (CHEBI:77746)
oleoyl-CoA(4−) (CHEBI:57387) is a octadecenoyl-CoA(4−) (CHEBI:139567)
oleoyl-CoA(4−) (CHEBI:57387) is conjugate base of oleoyl-CoA (CHEBI:15534)
Incoming oleoyl-CoA (CHEBI:15534) is conjugate acid of oleoyl-CoA(4−) (CHEBI:57387)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(9Z)-octadec-9-enoyl-CoA(4−) ChEBI
(9Z)-octadec-9-enoyl-CoA(4-) ChEBI
(9Z)-octadecenoyl-CoA UniProt
cis-9-octadecenoyl-CoA(4−) ChEBI
cis-9-octadecenoyl-coenzyme A(4−) ChEBI
oleoyl-coenzyme A(4−) ChEBI
Last Modified
01 February 2018