[(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate
| Internal ID | b7c49c95-3605-4d2b-a1c0-806c954f2f6f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates |
| IUPAC Name | [(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate |
| SMILES (Canonical) | C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O |
| SMILES (Isomeric) | C([C@@H]1[C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O |
| InChI | InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3+,4+,5+/m1/s1 |
| InChI Key | PQGCEDQWHSBAJP-STGXQOJASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C5H13O14P3 |
| Molecular Weight | 390.07 g/mol |
| Exact Mass | 389.95181608 g/mol |
| Topological Polar Surface Area (TPSA) | 230.00 Ų |
| XlogP | -5.80 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4r5r-34-dihydroxy-5-phosphonooxymethyloxolan-2-yl-phosphono-hydrogen-phosphate.jpg "2D Structure of [(2S,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.36% | 83.82% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 92.19% | 80.33% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 91.81% | 94.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 89.74% | 97.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.58% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.79% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.49% | 92.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.72% | 87.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.58% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.20% | 96.61% |
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 | 92962115 |
| LOTUS | LTS0224875 |
| wikiData | Q105213220 |