(1r)-2-(Phosphonooxy)-1-[(Tridecanoyloxy)methyl]ethyl Pentadecanoate
| Internal ID | bf24f622-a1e9-48cd-9def-463133793bc6 |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphates > Diacylglycerophosphates > 1,2-diacylglycerol-3-phosphates |
| IUPAC Name | [(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] pentadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O |
| InChI | InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1 |
| InChI Key | UOOPRMYYAWVCCZ-GDLZYMKVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H61O8P |
| Molecular Weight | 592.80 g/mol |
| Exact Mass | 592.41040590 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 10.80 |
| PA(13:0/15:0) |
| 1-tridecanoyl-2-pentadecanoyl-glycero-3-phosphate |
| 6PH |
| LMGP10010938 |
| Q27456508 |
![2D Structure of (1r)-2-(Phosphonooxy)-1-[(Tridecanoyloxy)methyl]ethyl Pentadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r-2-phosphonooxy-1-tridecanoyloxymethylethyl-pentadecanoate.jpg "2D Structure of (1r)-2-(Phosphonooxy)-1-[(Tridecanoyloxy)methyl]ethyl Pentadecanoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3819 | Q92633 | Lysophosphatidic acid receptor Edg-2 |
407 nM 221 nM |
Ki Ki |
via Super-PRED
via Super-PRED |
| CHEMBL3250 | Q9UBY5 | Lysophosphatidic acid receptor Edg-7 |
119 nM 39 nM |
Ki Ki |
via Super-PRED
via Super-PRED |
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
707.9 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 99.13% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.61% | 95.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.75% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.53% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.49% | 92.86% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.21% | 94.01% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.83% | 98.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.09% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.46% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.35% | 91.71% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 87.23% | 96.99% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.19% | 91.81% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.86% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.38% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.37% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.29% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.77% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.37% | 100.00% |
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.
| Amaranthus tricolor |
| Euonymus japonicus |
| Ferula tenuisecta |
| Murraya koenigii |
| Ruta graveolens |
| PubChem | 447791 |
| LOTUS | LTS0060583 |
| wikiData | Q27456508 |