α-linolenoyl-CoA

Chemical Formula:

C₃₉H₆₀N₇O₁₇P₃S

Molecular Weight:

1023.921 Daltons

Monoisotopic Mass:

1027.3292238865 Daltons

SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)

InChI:

1S/C39H64N7O17P3S/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/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5-,9-8-,12-11-/t28-,32+,33+,34?,38-/m0/s1

InChIKey:

OMKFKBGZHNJNEX-KZWMEWPFSA-J

Synonyms

18:3Δ^9,12,15
(9Z,12Z,15Z)-octadecatrienoyl-CoA

Databases

MetaCyc: LINOLENOYL-COA

MetaboLights: MTBLC51985

HMDB: HMDB06290

ChEBI: 51985 74034

PubChem (CID): 49859601 71581051

KEGG: C16162

Reactome: 2046062

Seed: cpd14883

MetaNetX: MNXM994