Molecule ID: 972

IUPAC Name: 1-oxopropane-1,2,3-tricarboxylic acid

Description: The molecule is a tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle. It has a role as a fundamental metabolite. It derives from a 2-oxoglutaric acid. It is a conjugate acid of an oxalatosuccinate(3-).

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

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

InChI: InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.1