Molecule ID: 1549097

IUPAC Name: (2R)-2-azaniumyl-3-sulfinatopropanoate

Description: The molecule is an alpha-amino-acid anion that is the conjugate base of 3-sulfino-L-alanine, arising from deprotonation of the sulfino and carboxy groups and protonation of the amino group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 3-sulfino-L-alanine. It is a conjugate acid of a 3-sulfinato-L-alaninate(2-).

SMILES: N[C@@H](CS(=O)O)C(=O)[O-]

SELFIES: [N][C@@H1][Branch1][#Branch1][C][S][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -4.1