1-O-(9Z,12Z-Octadecadienoyl)-3-O-Nonadecanoyl Glycerol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL452985 | |
| PubChem: | 10919289 | |
| IUPAC: | [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] nonadecanoate | |
| Standard InChI: | InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38,41H,3-11,13,15-17,19,21-37H2,1-2H3/b14-12-,20-18- | |
| Standard InChI Key: | PHVWLLRQGNSGAW-MLWYYCKJSA-N | |
| SMILES: | CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CC/C=CCCCCC)O | |
Molecular propeties
| ||
| AlogP: | 11.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 35 | |
| Number of rings: | 0 | |
| Molecular Weight: | 634.55 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.85 | |
| Number of carbons: | 40 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|