(2R)-2-amino-3-ethylsulfinylpropanoic acid
| Internal ID | 9ac0c601-a21b-4586-8c5e-da933ee7b113 |
| 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 | (2R)-2-amino-3-ethylsulfinylpropanoic acid |
| SMILES (Canonical) | CCS(=O)CC(C(=O)O)N |
| SMILES (Isomeric) | CCS(=O)C[C@@H](C(=O)O)N |
| InChI | InChI=1S/C5H11NO3S/c1-2-10(9)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1 |
| InChI Key | CSZTZFUEOCFFJH-YGVKFDHGSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C5H11NO3S |
| Molecular Weight | 165.21 g/mol |
| Exact Mass | 165.04596439 g/mol |
| Topological Polar Surface Area (TPSA) | 99.60 Ų |
| XlogP | -4.00 |
| 17795-08-3 |
| S-Ethyl-L-cysteine sulfoxide |
| S-Ethylcysteine sulfoxide |
| 2-amino-3-(ethanesulfinyl)propanoic acid |
| RefChem:931104 |
| (2R)-2-amino-3-ethylsulfinylpropanoic acid |
| 3-(Ethylsulfinyl)-L-alanine |
| L-Alanine, 3-(ethylsulfinyl)- |
| 3-(Ethanesulfinyl)alanine |
| 3-(Ethanesulfinyl)-L-alanine |
| 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 | 97.03% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.32% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 92.71% | 92.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.11% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.77% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.82% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.12% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.68% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.77% | 100.00% |
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.
| Allium ursinum |
| PubChem | 146416 |
| LOTUS | LTS0208939 |
| wikiData | Q82915446 |