(S)-3-hydroxy-(9Z)-octadecenoyl-CoA

Chemical Formula:

C₃₉H₆₄N₇O₁₈P₃S

Molecular Weight:

1043.952 Daltons

Monoisotopic Mass:

1047.355438637 Daltons

SMILES:

CCCCCCCCC=CCCCCCC(O)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/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-28,32-34,38,47,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t27-,28+,32+,33+,34-,38+/m0/s1

InChIKey:

LHAYYTCFPMUQNR-DFXYPYGHSA-J

Synonyms

(S)-3-hydroxy-18:1-Δ9-CoA
(S)-3-hydroxy-9-cis-octadecenoyl-CoA

Databases

MetaCyc: CPD-19171

ChEBI: 87687

PubChem (CID): 91828284

MetaNetX: MNXM149457