2,3-Dihydroxypropyl (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoate
Representations & DB's id
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| ChEBI: | CHEBI:75577 | |
|---|---|---|
| ChEMBL: | CHEMBL255922 | |
| PubChem: | 5367328 | |
| IUPAC: | 2,3-dihydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | |
| Standard InChI: | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- | |
| Standard InChI Key: | GGJRAQULURVTAJ-PDBXOOCHSA-N | |
| SMILES: | CC/C=CC/C=CC/C=CCCCCCCCC(=O)OCC(CO)O | |
Molecular propeties
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| AlogP: | 4.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 16 | |
| Number of rings: | 0 | |
| Molecular Weight: | 352.26 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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