TG(16:0/16:0/18:2(9Z,12Z))[iso3]
| Internal ID | d5596743-d1b5-499f-bcda-91c9ecda2489 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | [(2R)-2,3-di(hexadecanoyloxy)propyl] (9Z,12Z)-octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16-,26-25-/t50-/m1/s1 |
| InChI Key | MTWYSKGJIDFSRC-IICCMCGVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C53H98O6 |
| Molecular Weight | 831.30 g/mol |
| Exact Mass | 830.73634084 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 21.40 |
| TG(16:0/16:0/18:2(9Z,12Z))(iso3) |
| GlyTouCan:G89783NA |
| RefChem:1048742 |
| G89783NA |
| TG(16:0/16:0/18:2)[iso3] |
| TG(16:0_16:0_18:2) |
| 1,2-dihexadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol |
| SCHEMBL31210135 |
| CHEBI:89758 |
| LMGL03010044 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of TG(16:0/16:0/18:2(9Z,12Z))[iso3]](https://plantaedb.com/storage/docs/compounds/2023/11/tg1601601829z12ziso3.jpg "2D Structure of TG(16:0/16:0/18:2(9Z,12Z))[iso3]")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.69% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.03% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.64% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.68% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.99% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.17% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.85% | 97.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.85% | 95.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.75% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.57% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.02% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.82% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.65% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.91% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.71% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.65% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.41% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.37% | 91.81% |
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.
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| There are no matching plants. |
| PubChem | 25240356 |
| LOTUS | LTS0087413 |
| wikiData | Q27161946 |