| Pubchem ID | 51 |
|---|---|
| CAS | 328-50-7 |
| IUPAC name | 2-oxopentanedioic acid |
| Synonyms | 2-Oxopentanedioic acid|alpha-ketoglutaric acid|2-oxoglutaric acid|2-oxoglutarate|Oxoglutaric acid|alpha-ketoglutarate|Alphaketoglutaric acid|alpha-Oxoglutaric acid|2-Oxo-1,5-pentanedioic acid|Pentanedioic acid, 2-oxo-|alpha Ketoglutarate|Oxoglutarate|oxogluric acid|Glutaric acid, alpha keto|2-ketoglutarate|Pentanedioic acid, oxo-|Oxoglurate|2-Oxo-Glutaric Acid|ketoglutaric acid|Bis(L-arginin)-2-oxoglutarat|Glutaric acid, 2-oxo-|alpha ketoglutaric acid |
| Categories | Flavor enhancer |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| InCheykey | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 146.098 | 2 | 5 | 4 | 91.7 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |