Isoketocamphoric acid
PubChem CID: 157009760
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isoketocamphoric acid, Isoketocamphate, Isoketocamphic acid, 3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid |
|---|---|
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WLXCRBOZJKAXCC-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | Isoketocamphoric acid |
| Description | Isoketocamphoric acid, also known as isoketocamphate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Isoketocamphoric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Isoketocamphoric acid can be found in common sage, which makes isoketocamphoric acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 216.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 216.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H16O5/c1-6(11)10(2,3)7(4-8(12)13)5-9(14)15/h7H,4-5H2,1-3H3,(H,12,13)(H,14,15) |
| Smiles | CC(=O)C(C)(C)C(CC(=O)O)CC(=O)O |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O5 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all