(R)-3-hydroxyoctanoyl-CoA

Chemical Formula:

C₂₉H₄₆N₇O₁₈P₃S

Molecular Weight:

905.7 Daltons

Monoisotopic Mass:

909.2145880592 Daltons

SMILES:

CCCCCC(CC(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-])=O)O

InChI:

1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,18-,22-,23-,24+,28-/m1/s1

InChIKey:

ATVGTMKWKDUCMS-JWBYWSJJSA-J

Synonyms

(R)-3-hydroxyoctanoyl-CoA
(3R)-3-hydroxyoctanoyl-CoA

Databases

MetaCyc: CPD-14916

RefMet: 3-hydroxyoctanoyl-CoA

BiGG: 3hocoa

PubChem (CID): 46173319

ChEBI: 74279

Seed: cpd12691

MetaNetX: MNXM31570

KEGG: C05278