Molecule ID: 9548584

IUPAC Name: 2-hydroxybutane-1,2,4-tricarboxylate

Description: The molecule is tricarboxylate anion of homocitric acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a homocitrate(2-).

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

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

InChI: InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-3

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 0.3