2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
| Internal ID | 6a539f7f-4dbc-40f0-a9e2-5c8fa7a9ffa2 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Phosphatidylcholines |
| IUPAC Name | 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium |
| SMILES (Canonical) | CCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCCC |
| InChI | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22-25,44H,6-21,26-43H2,1-5H3/p+1/b24-22+,25-23+ |
| InChI Key | HJYITXYOCDILBF-BQASJOSNSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C46H89NO8P+ |
| Molecular Weight | 815.20 g/mol |
| Exact Mass | 814.63258079 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
![2D Structure of 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium](https://plantaedb.com/storage/docs/compounds/2023/11/2-23-bise-nonadec-9-enoyloxypropoxy-hydroxyphosphoryloxyethyl-trimethylazanium.jpg "2D Structure of 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium")
| 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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 99.03% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.85% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.49% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.78% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.34% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.07% | 92.50% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 91.84% | 94.01% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.57% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.51% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.25% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.46% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.86% | 94.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.07% | 91.71% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.94% | 97.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.88% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.49% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.88% | 91.81% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.74% | 80.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.93% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.90% | 93.03% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.98% | 93.31% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.36% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.05% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.62% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.56% | 93.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.51% | 96.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.48% | 92.95% |
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.
| Mucuna pruriens |
| Zea mays |
| PubChem | 6850739 |
| LOTUS | LTS0223825 |
| wikiData | Q104397491 |