(9S,10E,12Z)-9-Hydroxyoctadeca-10,12-Dienoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:34496 | |
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| ChEMBL: | CHEMBL1230670 | |
| PubChem: | 5312830 | |
| IUPAC: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid | |
| Standard InChI: | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1 | |
| Standard InChI Key: | NPDSHTNEKLQQIJ-UINYOVNOSA-N | |
| SMILES: | CCCCC/C=CC=C[C@H](CCCCCCCC(=O)O)O | |
Molecular propeties
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| AlogP: | 4.86 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 296.24 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.722 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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