Molecule ID: 4584184

IUPAC Name: 4-methylsulfanyl-2-oxobutanoate

Description: The molecule is the 2-oxo monocarboxylic acid anion derived from 4-methylthio-2-oxobutanoic acid. The major microspecies at pH 7.3, it is formed from L-methionine via the action of methionine transaminase. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a butyrate. It is a conjugate base of a 4-methylthio-2-oxobutanoic acid.

SMILES: CSCCC(=O)C(=O)[O-]

SELFIES: [C][S][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 82.5 Ų
- LogP: 0.9