Molecule ID: 31348

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

Description: The molecule is a tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid. It has a role as a fundamental metabolite. It is a citrate anion and a tricarboxylic acid trianion. It is a conjugate base of a citrate(2-). It is a conjugate acid of a citrate(4-).

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

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

InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.2