Molecule ID: 5460172

IUPAC Name: 1-hydroxypropane-1,2,3-tricarboxylate

Description: The molecule is propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an isocitrate(2-).

SMILES: O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][O][C][=Branch1][C][=O][O-1]

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)/p-3

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.1