(R)-2-hydroxy-4-methylpentanoyl-CoA

Chemical Formula:

C₂₇H₄₂N₇O₁₈P₃S

Molecular Weight:

877.646 Daltons

Monoisotopic Mass:

881.1832879308 Daltons

SMILES:

CC(C)CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16-,19-,20-,21+,25-/m1/s1

InChIKey:

CFNPCSNXESBNGR-LYALRYAQSA-J

Synonyms

(R)-2-hydroxyisocaproyl-CoA

Databases

MetaCyc: CPD-11652

ChEBI: 87119

PubChem (CID): 44237125

Seed: cpd23040

MetaNetX: MNXM31550

KEGG: C21089