docosahexaenoic acid

Ligand id: 1051

Name: docosahexaenoic acid

Abbreviated name: DHA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 37.3
Molecular weight 328.24
XLogP 8.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
International Nonproprietary Names
INN number INN
6428 doconexent
Synonyms
all-cis-DHA
all-cis-docosa-4,7,10,13,16,19-hexaenoic acid
doconexent
Omega 3 fatty acid
Omega-3 marine triglycerides
Retriacyl® (proposed trade name)
Database Links
CAS Registry No. 6217-54-5 (source: Scifinder)
ChEBI CHEBI:28125
ChEMBL Ligand CHEMBL367149
Human Metabolome Database HMDB02183
Lipid Maps LMFA01030185
NURSA Ligand 10.1621/JKUDOZNM9G
PubChem CID 445580
RCSB PDB Ligand HXA
Search Google for chemical match using the InChIKey MBMBGCFOFBJSGT-KUBAVDMBSA-N
Search Google for chemicals with the same backbone MBMBGCFOFBJSGT
Search PubMed clinical trials doconexent
Search PubMed titles doconexent
Search PubMed titles/abstracts doconexent
Wikipedia Docosahexaenoic_acid
Comments
Docosahexaenoic acid is an endogenous omega-3 fatty acid, activating all 3 retinoid X receptor isoforms. It has no activity at retinoic acid receptors (RARs), the thyroid hormone receptor or the vitamin D receptor (VDR).