18-hydroxylinoleoyl-CoA

Chemical Formula:

C₃₉H₆₂N₇O₁₈P₃S

Molecular Weight:

1041.936 Daltons

Monoisotopic Mass:

1045.3397885728 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO)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/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-,9-7-/t28-,32-,33-,34+,38-/m1/s1

InChIKey:

HJEGYLSHIKPENR-DAXVLCLXSA-J

Synonyms

ω-hydroxylinoleoyl-CoA

Databases

MetaCyc: CPD-17371

ChEBI: 84904

PubChem (CID): 90659898

MetaNetX: MNXM146247

KEGG: C21006