Molecule ID: 20849110

IUPAC Name: (2Z,4E)-2-aminohexa-2,4-dienedioate

Description: The molecule is dicarboxylate anion of 2-aminomuconic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 2-aminomuconic acid and a 2-ammoniomuconate(1-).

SMILES: N/C(=C\C=C\C(=O)[O-])C(=O)[O-]

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

InChI: InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/p-2/b3-1+,4-2-

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 1.0