CDP-ethanolamine
Internal ID | 0c66335a-a193-4d8b-ac4a-a519c84201a5 |
Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside diphosphates > CDP-ethanolamines |
IUPAC Name | [2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate |
SMILES (Canonical) | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O |
SMILES (Isomeric) | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O |
InChI | InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1 |
InChI Key | WVIMUEUQJFPNDK-PEBGCTIMSA-N |
Popularity | 129 references in papers |
Molecular Formula | C11H20N4O11P2 |
Molecular Weight | 446.24 g/mol |
Exact Mass | 446.06038146 g/mol |
Topological Polar Surface Area (TPSA) | 237.00 Ų |
XlogP | -7.20 |
CDP ethanolamine |
3036-18-8 |
cytidine diphosphate ethanolamine |
[2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate |
Cytidine 5'-(trihydrogen diphosphate), P'-(2-aminoethyl) ester |
2-AMINOETHOXY-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-PHOSPHINIC ACID |
Cytidine 5'-diphosphoethanolamine |
CDPethanolamine |
5'-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
CHEBI:16732 |
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 | 97.28% | 96.09% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 96.75% | 80.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.73% | 95.93% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 92.48% | 94.01% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.35% | 94.00% |
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 89.34% | 100.00% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.71% | 95.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
CHEMBL3891 | P07384 | Calpain 1 | 85.17% | 93.04% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 84.70% | 80.71% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.31% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.28% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.70% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.00% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.97% | 96.00% |
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 | 123727 |
LOTUS | LTS0087337 |
wikiData | Q26997412 |