3-[(S)-Butane-1-sulfinyl]-L-alanine
| Internal ID | 928bfaf9-acdd-4631-aa2d-0d02855e98a3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | (2R)-2-amino-3-[(S)-butylsulfinyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H15NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-,12-/m0/s1 |
| InChI Key | CBFHOPPJBYHALQ-QTTZVWFDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H15NO3S |
| Molecular Weight | 193.27 g/mol |
| Exact Mass | 193.07726451 g/mol |
| Topological Polar Surface Area (TPSA) | 99.60 Ų |
| XlogP | -3.10 |
| DTXSID00430520 |
| 3-[(S)-Butane-1-sulfinyl]-L-alanine |
![2D Structure of 3-[(S)-Butane-1-sulfinyl]-L-alanine](https://plantaedb.com/storage/docs/compounds/2023/11/3-s-butane-1-sulfinyl-l-alanine.jpg "2D Structure of 3-[(S)-Butane-1-sulfinyl]-L-alanine")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.80% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.81% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.31% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.54% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.91% | 97.21% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.18% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.09% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.02% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.94% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.90% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.91% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.44% | 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 siculum |
| PubChem | 9574102 |
| LOTUS | LTS0082925 |
| wikiData | Q82244095 |