Molecule ID: 5461053

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

Description: The molecule is an isocitrate(3-) that is the conjugate base of L-threo-isocitric acid. It has a role as a fundamental metabolite. It is a conjugate base of a L-threo-isocitric acid. It is an enantiomer of a D-threo-isocitrate(3-).

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

SELFIES: [O][=C][Branch1][C][O-1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@H1][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/t2-,4+/m1/s1

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