Showing Metabocard for 2-oxohexanoate (BASm0001924)
| Common Name | 2-oxohexanoate |
|---|---|
| Description | 2-Ketohexanoic acid is a potent insulin secretagogue (PMID 7045091 ). 2-Ketohexanoic acid directly inhibits the ATP-sensitive K+ channel (KATP channel) in pancreatic beta-cells (stimulated in isolated mouse islets), but it is unknown whether direct KATP channel inhibition contributes to insulin release by 2-ketohexanoic acid and related alpha-keto acid anions, which are generally believed to act via beta-cell metabolism (PMID 16014804 ). |
| Structure | |
| Molecular Formula | C6H10O3 |
| Average Mass | 130.14180 |
| Monoisotopic Mass | 130.06299 |
| IUPAC Name | 2-oxohexanoic acid |
| Traditional Name | 2-oxohexanoic acid |
| CAS Registry Number | 2492-75-3 |
| SMILES | CCCCC(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
| InChI Key | XNIHZNNZJHYHLC-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:35177 |
| HMDB ID | HMDB0001864 |
| State | Solid |
| Water Solubility | 8.02e+00 g/l |
| logP | 0.94 |
| logS | -1.21 |
| pKa (Strongest Acidic) | 3.53 |
| pKa (Strongest Basic) | -9.66 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 54.37 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 31.82 m³·mol⁻¹ |
| Polarizability | 13.19 |