(S)-3-methyl-2-oxopentanoate

(<i>S</i>)-3-methyl-2-oxopentanoate




Chemical Formula:
C6H9O3
Molecular Weight:
129.135 Daltons
Monoisotopic Mass:
130.0629941873 Daltons
SMILES:
CCC(C)C(=O)C([O-])=O
InChI:
1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1/t4-/m0/s1
InChIKey:
JVQYSWDUAOAHFM-BYPYZUCNSA-M

Synonyms
  • (3S)-3-methyl-2-oxopentanoate
  • α-keto-methylvalerate
  • 2-oxo-3-methylvalerate
  • (S)-2-oxo-3-methylpentanoate
  • (S)-3-methyl-2-oxovalerate
  • 2-oxo-3-methylpentanoate
  • 3-methyl-2-oxopentanoate
  • α-keto-β-methyl-valerate
  • 2-keto-3-methyl-valerate
  • 2-keto-isoleucine
  • (S)-3-Methyl-2-oxopentanoic acid
  • (3S)-3-Methyl-2-oxopentanoic acid

Databases
MetaCyc:  2-KETO-3-METHYL-VALERATE
RefMet:  (S)-3-Methyl-2-oxopentanoic acid
BiGG:  3mop
MetaboLights:  MTBLC35146
HMDB:  HMDB00491
ChemSpider:  19951083
ChEBI:  35146 15614
PubChem (CID):  6857401 439286
KEGG:  C00671
CAS:  1460-34-0
Seed:  cpd00508
MetaNetX:  MNXM439
PupChem (SID):  3940
LIPID MAPS:  LMFA01020275
PDB-CCD:  1QQ
3DMET:  B01307
NIKKAJI:  J264.814H