oleoyl-CoA

Chemical Formula:

C₃₉H₆₄N₇O₁₇P₃S

Molecular Weight:

1027.953 Daltons

Monoisotopic Mass:

1031.3605240149 Daltons

SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

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

Synonyms

oloeyl-CoA (cis)
cis-octadec-9-enoyl-CoA
(9Z)-octadec-9-enoyl-CoA
18:1 cis-9
18:1(n-9)

Databases

MetaCyc: OLEOYL-COA

RefMet: Oleoyl-CoA

PubChem (CID): 25245426 5497111

MetaboLights: MTBLC57387

HMDB: HMDB01322

ChEBI: 57387

KEGG: C00510

Reactome: 5690558

MetaNetX: MNXM686