Molecule ID: 110

IUPAC Name: 2-oxo-3-sulfinopropanoic acid

Description: The molecule is a pyruvic acid compound having a 3-sulfinyl substituent. It has a role as a human metabolite and a mouse metabolite. It is a sulfur-containing carboxylic acid, an organosulfinic acid and a 2-oxo monocarboxylic acid. It derives from a pyruvic acid. It is a conjugate acid of a 3-sulfinatopyruvate(2-).

SMILES: O=C(O)C(=O)CS(=O)O

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

InChI: InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: -1.0