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
Classification
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
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
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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