(E,2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyhexadec-3-enamide
| Internal ID | 3057426a-b66c-461d-9dd2-51f678d63527 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Long-chain ceramides |
| IUPAC Name | (E,2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyhexadec-3-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(C(CO)NC(=O)C(C=CCCCCCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)[C@@H](/C=C/CCCCCCCCCCCC)O)O |
| InChI | InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h27,29,31-33,36-38H,3-26,28,30H2,1-2H3,(H,35,39)/b29-27+/t31-,32+,33+/m0/s1 |
| InChI Key | OPOXGJNSAGVWAY-YPBRHVBZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H67NO4 |
| Molecular Weight | 553.90 g/mol |
| Exact Mass | 553.50700962 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of (E,2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyhexadec-3-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e2r-n-2s3r-13-dihydroxyoctadecan-2-yl-2-hydroxyhexadec-3-enamide.jpg "2D Structure of (E,2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyhexadec-3-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.77% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.65% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.70% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.18% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.61% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.17% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.67% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.22% | 92.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.07% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.03% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.15% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.34% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.53% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.49% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.33% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.27% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.55% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.19% | 87.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.63% | 85.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.39% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.23% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.82% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.72% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.29% | 95.58% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.56% | 87.16% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.02% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.58% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.18% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 21595806 |
| LOTUS | LTS0221708 |
| wikiData | Q105196481 |