Molecule ID: 21270557

IUPAC Name: 9-oxononanoate

Description: The molecule is an aldehydic acid anion that is the conjugate base of 9-oxononanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is an aldehydic acid anion, an omega-oxo fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a 9-oxononanoic acid.

SMILES: O=CCCCCCCCC(=O)[O-]

SELFIES: [O][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 2.1