(2E,9Z)-octadecenoyl-CoA

Chemical Formula:

C₃₉H₆₂N₇O₁₇P₃S

Molecular Weight:

1025.937 Daltons

Monoisotopic Mass:

1029.3448739507 Daltons

SMILES:

CCCCCCCCC=CCCCCCC=CC(=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/C39H66N7O17P3S/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/h11-12,18-19,26-28,32-34,38,49-50H,4-10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1

InChIKey:

REOYMONHGHULEY-PPSVNWDXSA-J

Synonyms

18:2-Δ2,Δ9-CoA
2-trans,9-cis-octadecenoyl-CoA

Databases

MetaCyc: CPD-19172

ChEBI: 77553

PubChem (CID): 86289273

MetaNetX: MNXM146681