(2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate
| Internal ID | c421f24b-dfb2-49c4-b7fd-4646d04ad78a |
| Taxonomy | Nucleosides, nucleotides, and analogues > 5-deoxyribonucleosides > 5-deoxy-5-thionucleosides |
| IUPAC Name | (2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate |
| SMILES (Canonical) | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| SMILES (Isomeric) | C[S+](CC[C@H](C(=O)[O-])N)C[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChI | InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8-,10+,11+,14-,27?/m1/s1 |
| InChI Key | MEFKEPWMEQBLKI-AAFYGDISSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N6O5S |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13723900 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | -2.80 |
| There are no found synonyms. |
![2D Structure of (2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9aa98990-87dc-11ee-82fb-21ad22f42c41.jpg "2D Structure of (2R)-2-amino-4-[[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate")
| 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 | 99.96% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.29% | 96.09% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 92.79% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.64% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.34% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.75% | 99.17% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 87.07% | 95.48% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.02% | 80.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.60% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.88% | 95.89% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.98% | 91.38% |
| CHEMBL3589 | P55263 | Adenosine kinase | 82.65% | 98.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.40% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.11% | 89.00% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 81.78% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.56% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.76% | 92.29% |
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 |
| PubChem | 163046094 |
| LOTUS | LTS0024483 |
| wikiData | Q105162197 |