| Pubchem ID | 6274 |
|---|---|
| CAS | 71-00-1 |
| IUPAC name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Synonyms | H-His-OH|glyoxaline-5-alanine|Anti-rheuma|L-(-)-Histidine|Istidina|S-Histidine|(L)-Histidine|Histidine (VAN)|histidina|(S)-4-(2-Amino-2-carboxyethyl)imidazole |
| Categories | Flavor enhancer |
| SMILES | C1=C(NC=N1)CC(C(=O)O)N |
| InCheykey | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| 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 |
|---|---|---|---|---|
| 155.157 | 3 | 4 | 3 | 92.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |