[(2S)-3-hexadec-3-enoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
| Internal ID | d04a76e1-0465-4f58-b3b6-6b78110c8540 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Monoalkylglycerophosphocholines |
| IUPAC Name | [(2S)-3-hexadec-3-enoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| SMILES (Canonical) | CCCCCCCCCCCCC=CCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC=CCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O |
| InChI | InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h16-17,24,26H,5-15,18-23H2,1-4H3/t24-/m0/s1 |
| InChI Key | NNYXALRCDUGKCV-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H50NO6P |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.33757531 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-3-hexadec-3-enoxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-hexadec-3-enoxy-2-hydroxypropyl-2-trimethylazaniumylethyl-phosphate.jpg "2D Structure of [(2S)-3-hexadec-3-enoxy-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 | 99.06% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.91% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.92% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.71% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.18% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.78% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.81% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.31% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.28% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.71% | 94.73% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.90% | 91.81% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.44% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.20% | 93.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.86% | 80.33% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 82.43% | 92.12% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.51% | 93.31% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.33% | 97.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.28% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.14% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.65% | 93.03% |
| CHEMBL240 | Q12809 | HERG | 80.45% | 89.76% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163195266 |
| LOTUS | LTS0033599 |
| wikiData | Q105182397 |