Molecule ID: 5280625

IUPAC Name: (2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid

Description: The molecule is a muconic semialdehyde having a 2-amino substituent. It has a role as a mouse metabolite. It is a muconic semialdehyde and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a 2-aminomuconate 6-semialdehyde(1-). It is a tautomer of a 2-aminomuconic 6-semialdehyde zwitterion.

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

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

InChI: InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -0.3