Molecule ID: 5459784

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

Description: The molecule is a 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate.

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][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

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)/t3-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.6