[(2S,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Internal ID | b5f9a383-f8f5-4d2d-9cd8-990adad44428 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates |
| IUPAC Name | [(2S,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | C(C1C(C(C(O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O |
| SMILES (Isomeric) | C([C@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O |
| InChI | InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4+,5+,8+/m0/s1 |
| InChI Key | LZEXYCAGPMYXLX-MSTUQOROSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H15N4O9P |
| Molecular Weight | 354.21 g/mol |
| Exact Mass | 354.05766507 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | -4.40 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/b1964020-862e-11ee-ae7b-97acd14784b0.jpg "2D Structure of [(2S,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen 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 |
|---|---|---|---|---|
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 95.49% | 94.01% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 94.58% | 97.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.66% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.25% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.90% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.74% | 86.92% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.32% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.22% | 91.11% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 86.00% | 97.03% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.59% | 80.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.02% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.81% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.25% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.25% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.10% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.75% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.33% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 162822835 |
| LOTUS | LTS0096474 |
| wikiData | Q105159832 |