[(2R)-3-[(2R)-2,12-dimethyltridecanoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
| Internal ID | 5c659f54-7206-4263-8ed5-177addf571e7 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines |
| IUPAC Name | [(2R)-3-[(2R)-2,12-dimethyltridecanoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H48NO7P/c1-20(2)14-12-10-8-7-9-11-13-15-21(3)23(26)29-18-22(25)19-31-32(27,28)30-17-16-24(4,5)6/h20-22,25H,7-19H2,1-6H3/t21-,22-/m1/s1 |
| InChI Key | SKOJWJADWCAPSY-FGZHOGPDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H48NO7P |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.31683987 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [(2R)-3-[(2R)-2,12-dimethyltridecanoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-3-2r-212-dimethyltridecanoyloxy-2-hydroxypropyl-2-trimethylazaniumylethyl-phosphate.jpg "2D Structure of [(2R)-3-[(2R)-2,12-dimethyltridecanoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.97% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.27% | 98.95% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 91.33% | 92.12% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 90.89% | 89.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.62% | 99.17% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 88.45% | 92.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.19% | 94.66% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.77% | 92.86% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.72% | 85.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.03% | 90.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.88% | 100.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 85.55% | 96.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.19% | 93.56% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 84.26% | 97.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.10% | 94.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.76% | 98.05% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.94% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.93% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.92% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.01% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163190544 |
| LOTUS | LTS0085442 |
| wikiData | Q105254956 |