Structure Database (LMSD)
Common Name
17R-HDHA
Systematic Name
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
Synonyms
3D model of 17R-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)
SWTYBBUBEPPYCX-NGHKTGSUSA-N
InChi (Click to copy)
InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Resolvins and protectins in inflammation resolution.,
Chem Rev, 2011
Chem Rev, 2011
Pubmed ID:
21766791
DOI:
10.1021/cr100396c
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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