Molecule ID: 14132861

IUPAC Name: 2-amino-4-methylsulfanylpentanedioic acid

Description: The molecule is a glutamic acid derivative with a methylsulfanyl group at position 4. It has a role as a metabolite. It is a glutamic acid derivative, a sulfur-containing amino acid, a non-proteinogenic alpha-amino acid and a methyl sulfide.

SMILES: CSC(CC(N)C(=O)O)C(=O)O

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

InChI: InChI=1S/C6H11NO4S/c1-12-4(6(10)11)2-3(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -2.7