L-Threonine Details
: IUPAC Name
L-Threonine
:Chemical Class
:CAS Registry Number
61-90-5
:Description
:Fragrance Type
savoury aroma??
Physical and Chemical properties
| PUBCHEM ID | 6288 |
| Molecular Weight (mg/mol) | 119.123 |
| Molecular Formula | C6H13NO2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| IUPAC Name | L-Threonine |
| Canonical SMILES | CC(C)C[C@H](N)C(=O)O |
| PUBCHEM IUPAC INCHIKEY | ROHFNLRQFUQHCH-YFKPBYRVSA-N |
| Solubility Level | 5 |
| Vapour Pressure | -3.19 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 26.02 |
| BBB Level | 4 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -1.193 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.14167 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | None |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 61-90-5 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 61-90-5 | L-Threonine |
Compound Image
2D Structure
Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)