Molecule ID: 93052

IUPAC Name: heptanoate

Description: The molecule is a medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a heptanoic acid.

SMILES: CCCCCCC(=O)[O-]

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

InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.2