Molecule ID: 1198

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

Description: The molecule is a tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. It has a role as a fundamental metabolite. It is a tricarboxylic acid and a secondary alcohol. It is a conjugate acid of an isocitrate(1-).

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/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.8