[(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
| Internal ID | b61cc41e-bbc1-4fb2-9008-167a1dbb5334 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside 3,5-bisphosphates |
| IUPAC Name | [(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate |
| SMILES (Canonical) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N |
| SMILES (Isomeric) | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N |
| InChI | InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10+/m0/s1 |
| InChI Key | GACDQMDRPRGCTN-SXVXDFOESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H15N5O13P2S |
| Molecular Weight | 507.27 g/mol |
| Exact Mass | 506.98623072 g/mol |
| Topological Polar Surface Area (TPSA) | 284.00 Ų |
| XlogP | -5.00 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/5e8a2c20-8425-11ee-b44d-01baf74e9524.jpg "2D Structure of [(2S,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate")
| 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 | 98.24% | 96.09% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 97.95% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.23% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.67% | 95.93% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 92.23% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.11% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.14% | 95.56% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.61% | 94.01% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.52% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.35% | 99.23% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.04% | 93.04% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.70% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 84.13% | 95.48% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.14% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.92% | 96.00% |
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.
| Arabidopsis thaliana |
| PubChem | 162822833 |
| LOTUS | LTS0150603 |
| wikiData | Q105005299 |