3-Cyano-L-alanine
| Internal ID | e0e86872-5e0e-42e3-a6bd-6d6c5146147e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S)-2-amino-3-cyanopropanoic acid |
| SMILES (Canonical) | C(C#N)C(C(=O)O)N |
| SMILES (Isomeric) | C(C#N)[C@@H](C(=O)O)N |
| InChI | InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 |
| InChI Key | BXRLWGXPSRYJDZ-VKHMYHEASA-N |
| Popularity | 267 references in papers |
| Molecular Formula | C4H6N2O2 |
| Molecular Weight | 114.10 g/mol |
| Exact Mass | 114.042927438 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | -3.70 |
| 6232-19-5 |
| 3-Cyano-L-alanine |
| L-Alanine, 3-cyano- |
| (2S)-2-amino-3-cyanopropanoic acid |
| L-3-Cyanoalanine |
| L-beta-Cyanoalanine |
| B75AJA4DCJ |
| H-BETA-CYANO-ALA-OH |
| .beta.-Cyano-L-alanine |
| (S)-2-Amino-3-cyanopropanoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.97% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.49% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.93% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.09% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.89% | 97.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Arabidopsis thaliana |
| Lotus corniculatus |
| Lotus corniculatus subsp. corniculatus |
| Solanum lycopersicum |
| Vicia sativa |
| PubChem | 439742 |
| LOTUS | LTS0074195 |
| wikiData | Q27075129 |