Molecule ID: 847

IUPAC Name: 2-amino-4-methylsulfinylbutanoic acid

Description: The molecule is the S-oxide derivative of methionine. It is a biomarker of oxidative stress. It has a role as a biomarker and a human metabolite.

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

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

InChI: InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 99.6 Ų
- LogP: -4.1