Molecule ID: 3080625

IUPAC Name: (Z)-but-2-ene-1,2,3-tricarboxylic acid

Description: The molecule is a tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (Z)-but-2-ene-1,2,3-tricarboxylate.

SMILES: C/C(C(=O)O)=C(\CC(=O)O)C(=O)O

SELFIES: [C][/C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][\C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.6