Molecule ID: 23615311

IUPAC Name: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate

Description: The molecule is a tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a tricarboxylic acid trianion and a 3-hydroxybutane-1,2,3-tricarboxylate. It is a conjugate base of a (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid.

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

SELFIES: [C][C@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1

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