1-O-(9Z,12Z-Octadecadienoyl)-3-O-(9Z-Octadecenoyl)Glycerol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL505746 | |
| PubChem: | 44584139 | |
| IUPAC: | [2-hydroxy-3-[(9E,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate | |
| Standard InChI: | InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17+,20-18- | |
| Standard InChI Key: | GREDRAMJRDQWEJ-DEDKAWTBSA-N | |
| SMILES: | CCCCCCCC/C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C/C=CCCCCC)O | |
Molecular propeties
| ||
| AlogP: | 11.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 33 | |
| Number of rings: | 0 | |
| Molecular Weight: | 618.52 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.795 | |
| Number of carbons: | 39 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|