22-hydroxy-docosanoyl-CoA

Chemical Formula:

C₄₃H₇₄N₇O₁₈P₃S

Molecular Weight:

1102.075 Daltons

Monoisotopic Mass:

1105.4336889580002 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCO)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/C43H78N7O18P3S/c1-43(2,29-65-71(62,63)68-70(60,61)64-28-32-37(67-69(57,58)59)36(54)42(66-32)50-31-49-35-39(44)47-30-48-40(35)50)38(55)41(56)46-24-23-33(52)45-25-27-72-34(53)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-26-51/h30-32,36-38,42,51,54-55H,3-29H2,1-2H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t32-,36-,37-,38+,42-/m1/s1

InChIKey:

GREYPJUHRBULIJ-GNSUAQHMSA-J

Synonyms

phellonoyl-CoA
22-hydroxybehenoyl-CoA
ω-hydroxy behenoyl-CoA
ω-hydroxydocosanoyl-CoA
22-hydroxydocosanoyl-CoA
ω-hydroxy-docosanoyl-coenzyme A
ω-hydroxy-docosanoic acid--CoA
C22:0-ω-OH-CoA
ω-hydroxy-docosanoyl-CoA
ω-hydroxy-C22:0-CoA

Databases

MetaCyc: CPD-14826

PubChem (CID): 90658211

MetaNetX: MNXM114738