[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
Internal ID | 54ac1ebc-8036-4c11-b3ad-a3a0ee414237 |
Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside diphosphates |
IUPAC Name | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal |
SMILES (Canonical) | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O.C(C(C(C(C(C=O)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)OP(=O)(O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O |
InChI | InChI=1S/C9H14N2O12P2.C6H12O6/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;7-1-3(9)5(11)6(12)4(10)2-8/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);1,3-6,8-12H,2H2/t4-,6-,7-,8-;3-,4+,5+,6+/m10/s1 |
InChI Key | MGPTWMMTHHBQDQ-AGSAPPAQSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H26N2O18P2 |
Molecular Weight | 584.32 g/mol |
Exact Mass | 584.06558598 g/mol |
Topological Polar Surface Area (TPSA) | 331.00 Ų |
XlogP | 0.00 |
MGPTWMMTHHBQDQ-AGSAPPAQSA-N |
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 | 97.56% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.13% | 86.92% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.53% | 95.93% |
CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 92.19% | 80.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.78% | 94.73% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.18% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.28% | 95.56% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.47% | 94.01% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.19% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 83.71% | 97.78% |
CHEMBL2123 | P51582 | Pyrimidinergic receptor P2Y4 | 83.55% | 93.39% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.53% | 97.29% |
CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.51% | 95.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.12% | 97.25% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.95% | 91.71% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.79% | 100.00% |
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 | 23616595 |
LOTUS | LTS0083701 |
wikiData | Q105163486 |