Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:31:27 UTC
Update Date2024-04-30 19:58:50 UTC
Metabolite IDMMDBc0033021
Metabolite Identification
Common Nameoleoyl-CoA
DescriptionOleoyl-CoA is a substrate for Acyl-CoA desaturase and Protein FAM34A.
Structure
Synonyms
ValueSource
(9Z)-Octadec-9-enoyl-CoAChEBI
(9Z)-Octadec-9-enoyl-coenzyme AChEBI
(9Z)-Octadecenoyl-CoAChEBI
cis-9-Octadecenoyl-CoAChEBI
cis-9-Octadecenoyl-coenzyme AChEBI
Oleoyl-coenzyme AChEBI
S-[(9Z)-Octadec-9-enoyl]-CoAChEBI
S-[(9Z)-Octadec-9-enoyl]-coenzyme AChEBI
S-Oleoyl-CoAChEBI
S-Oleoylcoenzyme AChEBI
Oleyl-coenzyme AMeSH
Oleyl-CoAMeSH
9-Octadecenoyl-CoAHMDB
9-Octadecenoyl-coenzyme AHMDB
Coenzyme A cis-9-octadecenoateHMDB
Coenzyme A oleateHMDB
Oleoyl coenzyme AHMDB
Oleoyl-CoAHMDB
Oleyl coenzyme AHMDB
Molecular FormulaC39H68N7O17P3S
Average Mass1031.98
Monoisotopic Mass1031.360524011
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional Nameoleoyl-CoA
CAS Registry Number1716-06-9
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
InChI Identifier
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
InChI KeyXDUHQPOXLUAVEE-BPMMELMSSA-N