Trilinolein
Representations & DB's id
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| ChEBI: | CHEBI:75844 | |
|---|---|---|
| ChEMBL: | CHEMBL3343985 | |
| PubChem: | 5322095 | |
| IUPAC: | 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate | |
| Standard InChI: | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27- | |
| Standard InChI Key: | HBOQXIRUPVQLKX-BBWANDEASA-N | |
| SMILES: | CCCCC/C=CC/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CC/C=CCCCCC)COC(=O)CCCCCCC/C=CC/C=CCCCCC | |
Molecular propeties
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| AlogP: | 17.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 47 | |
| Number of rings: | 0 | |
| Molecular Weight: | 878.74 | |
| Topological polar surface area: | 78.9 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.737 | |
| Number of carbons: | 57 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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