Structure Database (LMSD)
Common Name
22-HDHA
Systematic Name
22-hydroxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
Synonyms
3D model of 22-HDHA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DTRUULZFBQUZPD-OAKYPOHLSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-5,8-11,14-17,23H,1,6-7,12-13,18-21H2,(H,24,25)/b4-2-,5-3-,10-8-,11-9-,16-14-,17-15-
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCO)/CCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Oxygenation of omega-3 fatty acids by human cytochrome P450 4F3B: effect on 20-hydroxyeicosatetraenoic acid production.,
Prostaglandins Leukot Essent Fatty Acids, 2006
Prostaglandins Leukot Essent Fatty Acids, 2006
Pubmed ID:
16820285
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
397.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.81
Molar Refractivity
106.99
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Admin
Created at
25th Oct 2023
Updated at
25th Oct 2023