Structure Database (LMSD)
Common Name
14S-HDHA
Systematic Name
14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
Synonyms
3D model of 14S-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)
ZNEBXONKCYFJAF-OUKOMXQNSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Novel 14,21-dihydroxy-docosahexaenoic acids: structures, formation pathways, and enhancement of wound healing.,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
19965612
DOI:
10.1194/jlr.M000059
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
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
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Updated at
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