4-CDP-2-C-methyl-D-erythritol 2-phosphate
Internal ID | 09f0f75f-c7fd-492a-a482-211589263954 |
Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside diphosphates |
IUPAC Name | [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate |
SMILES (Canonical) | CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O |
SMILES (Isomeric) | C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O |
InChI | InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1 |
InChI Key | HTJXTKBIUVFUAR-XHIBXCGHSA-N |
Popularity | 8 references in papers |
Molecular Formula | C14H26N3O17P3 |
Molecular Weight | 601.29 g/mol |
Exact Mass | 601.04750736 g/mol |
Topological Polar Surface Area (TPSA) | 318.00 Ų |
XlogP | -7.70 |
263016-95-1 |
2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol |
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE |
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate |
4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 2-(dihydrogen phosphate) |
CHEBI:16840 |
DTXSID10332066 |
DB01859 |
PD060301 |
SUD |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 98.76% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 97.23% | 95.93% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.91% | 97.29% |
CHEMBL2581 | P07339 | Cathepsin D | 94.19% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.93% | 94.73% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.97% | 97.25% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 90.08% | 80.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.89% | 86.33% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 86.06% | 100.00% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.86% | 94.01% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.86% | 98.46% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.47% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.88% | 99.17% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.74% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.59% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.72% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.62% | 89.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.39% | 96.90% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.75% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.70% | 91.11% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.92% | 93.65% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.78% | 94.45% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.67% | 96.39% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.37% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.18% | 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.
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana |
PubChem | 443200 |
LOTUS | LTS0214365 |
wikiData | Q2714755 |