Structure Database (LMSD)
Common Name
14R,21R-diHDHA
Systematic Name
14R,21R-dihydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid
Synonyms
LM ID
LMFA04000057
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Active
3D model of 14R,21R-diHDHA
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)
FRJZMMUVPROLHN-PXDZPDTHSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-20(23)16-12-10-11-14-18-21(24)17-13-8-6-4-2-3-5-7-9-15-19-22(25)26/h2-3,6-9,11-14,16-17,20-21,23-24H,4-5,10,15,18-19H2,1H3,(H,25,26)/b3-2-,8-6-,9-7-,14-11-,16-12-,17-13+/t20-,21+/m1/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\[C@H](O)C)(=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
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
405.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.06
Molar Refractivity
108.89
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Created at
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Updated at
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