[(2R)-2-hydroxy-3-(15-methylhexadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
| Internal ID | 72e6af2a-7e1a-43d5-ad57-4f06e1c25a9b |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Monoalkylglycerophosphocholines |
| IUPAC Name | [(2R)-2-hydroxy-3-(15-methylhexadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H54NO6P/c1-24(2)18-16-14-12-10-8-6-7-9-11-13-15-17-20-30-22-25(27)23-32-33(28,29)31-21-19-26(3,4)5/h24-25,27H,6-23H2,1-5H3/t25-/m1/s1 |
| InChI Key | RQCNXHQIZGDHRA-RUZDIDTESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H54NO6P |
| Molecular Weight | 495.70 g/mol |
| Exact Mass | 495.36887544 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-hydroxy-3-(15-methylhexadecoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-3-15-methylhexadecoxypropyl-2-trimethylazaniumylethyl-phosphate.jpg "2D Structure of [(2R)-2-hydroxy-3-(15-methylhexadecoxy)propyl] 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 | 98.63% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.63% | 94.66% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.87% | 92.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.62% | 99.17% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 89.39% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.03% | 92.86% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 88.84% | 92.95% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.78% | 98.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.27% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.75% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.39% | 94.73% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 84.43% | 96.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.12% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.53% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.40% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.09% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.02% | 100.00% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 80.90% | 95.52% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.83% | 89.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10074520 |
| LOTUS | LTS0194836 |
| wikiData | Q105243228 |