PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
| Internal ID | 61d85c3b-5253-47b9-a31d-a86875fa2657 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphates > Diacylglycerophosphates > 1,2-diacylglycerol-3-phosphates |
| IUPAC Name | [(2R)-1-octadecanoyloxy-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H2,46,47,48)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m1/s1 |
| InChI Key | SFHGEOGVGJYLEK-USQBYQOHSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C43H73O8P |
| Molecular Weight | 749.00 g/mol |
| Exact Mass | 748.50430628 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 13.10 |
| PA(18:0/22:6) |
| 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphate |
| 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate |
| SCHEMBL2124137 |
| CHEBI:77258 |
| LMGP10010039 |
| PA(40:06) |
| Q27146843 |
| 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate |
| (2R)-1-(phosphonooxy)-3-(stearoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
| 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 | 98.63% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.42% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.80% | 85.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.34% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.88% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.05% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.98% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.97% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.38% | 91.71% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 89.00% | 94.01% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.58% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.33% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.21% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.20% | 91.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.89% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.97% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.30% | 100.00% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 81.21% | 90.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.87% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.03% | 93.31% |
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.
| Acmella ciliata |
| PubChem | 24779562 |
| LOTUS | LTS0209634 |
| wikiData | Q104999986 |