1-O-(9Z,12Z-Octadecadienoyl)-2-O-(9Z,12Z-Octadecadienoyl)Glycerol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL445705 | |
| PubChem: | 44584138 | |
| IUPAC: | [3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9E,12E)-octadeca-9,12-dienoate | |
| Standard InChI: | InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11+,14-12-,19-17+,20-18- | |
| Standard InChI Key: | MQGBAQLIFKSMEM-YIEDHNAISA-N | |
| SMILES: | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=CC/C=CCCCCC)CO | |
Molecular propeties
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| AlogP: | 11.06 | |
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| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 32 | |
| Number of rings: | 0 | |
| Molecular Weight: | 616.51 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.744 | |
| Number of carbons: | 39 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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