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 No supplier information found for this compound.
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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
View more database links
Registry Numbers Types Sources
1716-06-9 CAS Registry Number ChemIDplus
604341 Reaxys Registry Number Reaxys
Citations Types Sources
10406955 PubMed citation Europe PMC
1061066 PubMed citation Europe PMC
11500518 PubMed citation Europe PMC
15604682 PubMed citation Europe PMC
16666608 PubMed citation Europe PMC
25012658 PubMed citation Europe PMC
25607896 PubMed citation Europe PMC
30420764 PubMed citation Europe PMC
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32433610 PubMed citation Europe PMC
32433613 PubMed citation Europe PMC
32433614 PubMed citation Europe PMC
6123958 PubMed citation Europe PMC
710426 PubMed citation Europe PMC
7142172 PubMed citation Europe PMC
8220169 PubMed citation Europe PMC
8373441 PubMed citation Europe PMC
9751207 PubMed citation Europe PMC
9756869 PubMed citation Europe PMC
Last Modified
09 June 2021