Molecule ID: 71

IUPAC Name: 2-oxohexanedioic acid

Description: The molecule is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a human metabolite and a mouse metabolite. It derives from an adipic acid. It is a conjugate acid of a 2-oxoadipate(2-).

SMILES: O=C(O)CCCC(=O)C(=O)O

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

InChI: InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: -0.5