docosahexaenoic acid


SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIKey MBMBGCFOFBJSGT-KUBAVDMBSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 328.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 8H4I 8EIT 8H4L 8T3Q 8T3V

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
FFA1 FFAR1 Human Free fatty acid A pEC50 5.4 5.7 6.0 Guide to Pharmacology
FFA1 FFAR1 Human Free fatty acid A pEC50 4.44 4.69 4.93 ChEMBL
FFA1 FFAR1 Human Free fatty acid A pEC50 8.22 8.22 8.22 Drug Central
OXE OXER1 Human Leukotriene A pIC50 8.24 8.24 8.24 Drug Central
OXE OXER1 Human Leukotriene A pIC50 5.7 5.7 5.7 ChEMBL