1-O-palmitoyl-sn-glycero-3-phosphocholine
| Internal ID | 5f0fb130-cff9-450b-b42f-da650a901dfe |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Lysophosphatidylcholines > 1-acyl-sn-glycero-3-phosphocholines |
| IUPAC Name | 2-[[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O |
| InChI | InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1 |
| InChI Key | ASWBNKHCZGQVJV-HSZRJFAPSA-O |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H51NO7P+ |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.34031496 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 5.60 |
| 17364-16-8 |
| GPCho 16:0/0:0 |
| GPCho(16:0/0:0) |
| SCHEMBL12235508 |
| SCHEMBL13905937 |
| C24H51NO7P+ |
| CHEBI:28468 |
| ASWBNKHCZGQVJV-HSZRJFAPSA-O |
| [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate |
| K6G |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.01% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.18% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.76% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.73% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.83% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.67% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.54% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.95% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.76% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.75% | 92.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.46% | 93.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.23% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.57% | 87.45% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.24% | 80.33% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.16% | 94.01% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.70% | 91.81% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.82% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.47% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.94% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 81.69% | 89.76% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.31% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.36% | 91.19% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.33% | 91.71% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 80.25% | 96.99% |
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.
| Populus tremula |
| PubChem | 460603 |
| LOTUS | LTS0176849 |
| wikiData | Q27103710 |