4-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]sulfanylbutanoic acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL460444 | |
| PubChem: | 10019057 | |
| IUPAC: | 4-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]sulfanylbutanoic acid | |
| Standard InChI: | InChI=1S/C19H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19(20)21/h3-4,6-7,9-10,12-13H,2,5,8,11,14-18H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-,13-12- | |
| Standard InChI Key: | JUGSAWFPXQSLMJ-LTKCOYKYSA-N | |
| SMILES: | CC/C=CC/C=CC/C=CC/C=CCCSCCCC(=O)O | |
Molecular propeties
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| AlogP: | 5.78 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 322.2 | |
| Topological polar surface area: | 62.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.526 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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