CHEBI:15534 - oleoyl-CoA

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ChEBI Name oleoyl-CoA
ChEBI ID CHEBI:15534
Definition An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7743, CHEBI:14685, CHEBI:25668
Supplier Information
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Formula C39H68N7O17P3S
Net Charge 0
Average Mass 1031.990
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/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)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
InChIKey XDUHQPOXLUAVEE-BPMMELMSSA-N
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)N1C=NC2=C1N=CN=C2N
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) 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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing oleoyl-CoA (CHEBI:15534) has functional parent coenzyme A (CHEBI:15346)
oleoyl-CoA (CHEBI:15534) has role Escherichia coli metabolite (CHEBI:76971)
oleoyl-CoA (CHEBI:15534) has role mouse metabolite (CHEBI:75771)
oleoyl-CoA (CHEBI:15534) is a octadecenoyl-CoA (CHEBI:139574)
oleoyl-CoA (CHEBI:15534) is conjugate acid of oleoyl-CoA(4−) (CHEBI:57387)
Incoming oleoyl-CoA(4−) (CHEBI:57387) is conjugate base of oleoyl-CoA (CHEBI:15534)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(9Z)-octadec-9-enoyl-CoA ChEBI
(9Z)-octadec-9-enoyl-coenzyme A ChEBI
(9Z)-octadecenoyl-CoA KEGG COMPOUND
cis-9-octadecenoyl-CoA ChEBI
cis-9-octadecenoyl-coenzyme A ChEBI
cis-Δ9-octadecenoyl-CoA ChEBI
cis-Δ9-octadecenoyl-coenzyme A ChEBI
oleoyl-CoA KEGG COMPOUND
oleoyl-coenzyme A ChemIDplus
S-[(9Z)-octadec-9-enoyl]-CoA ChEBI
S-[(9Z)-octadec-9-enoyl]-coenzyme A ChEBI
S-oleoyl-CoA ChEBI
S-oleoylcoenzyme A ChemIDplus
Manual Xrefs Databases
3VV PDBeChem
4593689 ChemSpider
C00510 KEGG COMPOUND
FDB022554 FooDB
HMDB0001322 HMDB
LMFA07050356 LIPID MAPS
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Registry Numbers Types Sources
1716-06-9 CAS Registry Number ChemIDplus
604341 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
09 June 2021