16-hydroxypalmitoyl-CoA

Chemical Formula:

C₃₇H₆₂N₇O₁₈P₃S

Molecular Weight:

1017.914 Daltons

Monoisotopic Mass:

1021.3397885728001 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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/C37H66N7O18P3S/c1-37(2,32(49)35(50)40-18-17-27(46)39-19-21-66-28(47)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-45)23-59-65(56,57)62-64(54,55)58-22-26-31(61-63(51,52)53)30(48)36(60-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,45,48-49H,3-23H2,1-2H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

ROZGNNDROQHXPF-BBECNAHFSA-J

Synonyms

ω-hydroxy-hexadecanoyl-coenzyme A
ω-hydroxypalmitoyl-CoA
16-hydroxy-hexadecanoyl-CoA

Databases

MetaCyc: CPD-17621

ChEBI: 84207

PubChem (CID): 86583440

MetaNetX: MNXM145650