oleoyl-CoA (CHEBI:15534)

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CHEBI:15534 - oleoyl-CoA

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ChEBI ID	CHEBI:15534
ChEBI Name	oleoyl-CoA
Stars
Definition	An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oleic acid.
Secondary ChEBI IDs	CHEBI:7743, CHEBI:14685, CHEBI:25668
Last Modified	9 June 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C39H68N7O17P3S
Net Charge	0
Average Mass	1031.994
Monoisotopic Mass	1031.36052
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
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

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Roles:	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
oleoyl-CoA	KEGG COMPOUND
oleoyl-coenzyme A	ChemIDplus
S-oleoylcoenzyme A	ChemIDplus
cis-Δ⁹-octadecenoyl-coenzyme A	ChEBI
S-[(9Z)-octadec-9-enoyl]-CoA	ChEBI
cis-9-octadecenoyl-CoA	ChEBI

Manual Xrefs	Databases
C00510	KEGG COMPOUND
HMDB0001322	HMDB
3VV	PDBeChem
FDB022554	FooDB
4593689	ChemSpider
LMFA07050356	LIPID MAPS

Registry Numbers	Sources
Reaxys:604341	Reaxys
CAS:1716-06-9	ChemIDplus

Citations