1-Azelaoyl-sn-glycero-3-phosphocholine
| Internal ID | 02d20ade-41ce-4c8a-b145-cdbc43b037cd |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines |
| IUPAC Name | [(2R)-3-(8-carboxyoctanoyloxy)-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| SMILES (Canonical) | C[N+](C)(C)CCOP(=O)([O-])OCC(COC(=O)CCCCCCCC(=O)O)O |
| SMILES (Isomeric) | C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC(=O)O)O |
| InChI | InChI=1S/C17H34NO9P/c1-18(2,3)11-12-26-28(23,24)27-14-15(19)13-25-17(22)10-8-6-4-5-7-9-16(20)21/h15,19H,4-14H2,1-3H3,(H-,20,21,23,24)/t15-/m1/s1 |
| InChI Key | TWYBESPQJGNNCX-OAHLLOKOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H34NO9P |
| Molecular Weight | 427.40 g/mol |
| Exact Mass | 427.19711866 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 0.00 |
| CHEBI:91219 |
| 1-azelaoylglycero-3-phosphocholine |
| 1-(8-carboxyoctanoyl)glycero-3-phosphocholine |
| 1-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine |
| Q27163135 |
| (2R)-3-[(8-carboxyoctanoyl)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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.11% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.26% | 97.29% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 86.14% | 92.12% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.25% | 89.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.36% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.03% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.75% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.20% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.11% | 95.17% |
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 | 121232657 |
| LOTUS | LTS0160535 |
| wikiData | Q27163135 |