[(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Internal ID | a0dec66b-01c0-49cb-822a-ba4f93f19b62 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside monophosphates |
| IUPAC Name | [(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| SMILES (Canonical) | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
| SMILES (Isomeric) | C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O |
| InChI | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6+,7-,8+/m0/s1 |
| InChI Key | DJJCXFVJDGTHFX-VXUIKNBNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H13N2O9P |
| Molecular Weight | 324.18 g/mol |
| Exact Mass | 324.03586699 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -3.60 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4s5r-5-24-dioxopyrimidin-1-yl-34-dihydroxyoxolan-2-ylmethyl-dihydrogen-phosphate.jpg "2D Structure of [(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.66% | 94.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.50% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.35% | 86.92% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.00% | 98.59% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.73% | 80.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.14% | 98.95% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 87.78% | 97.78% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.76% | 91.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.07% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.85% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.44% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.77% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.57% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.56% | 91.11% |
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 | 40467906 |
| LOTUS | LTS0193137 |
| wikiData | Q104982293 |