Molecule ID: 91825649

IUPAC Name: (3Z,5Z)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid

Description: The molecule is a dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a dihydroxy monocarboxylic acid and a muconic semialdehyde. It is a conjugate acid of a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate.

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

SELFIES: [C][C][=Branch1][Ring1][=C][/O][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,8-9H,1H3,(H,11,12)/b4-3-,5-2-

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.8