Molecule ID: 135398557

IUPAC Name: (2Z,4E)-2-amino-6-hydroxy-6-oxohexa-2,4-dienoate

Description: The molecule is a dicarboxylic acid monoanion that is the conjugate base of 2-aminomuconic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as a human metabolite. It is a conjugate base of a 2-aminomuconic acid. It is a conjugate acid of a 2-aminomuconate(2-).

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]

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-1/b3-1+,4-2-

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 0.4