Molecule ID: 473

IUPAC Name: 4-methylsulfanyl-2-oxobutanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. It derives from a butyric acid and a L-methionine. It is a conjugate acid of a 4-methylthio-2-oxobutanoate.

SMILES: CSCCC(=O)C(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 79.7 Ų
- LogP: 0.3