Molecule ID: 21158450

IUPAC Name: (Z)-but-1-ene-1,2,4-tricarboxylate

Description: The molecule is tricarboxylate anion of but-1-ene-1,2,4-tricarboxylic acid; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a but-1-ene-1,2,4-tricarboxylic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][/C][=C][Branch1][Branch2][/C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3-

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.3