Structure Database (LMSD)
Common Name
10R-HODE
Systematic Name
10R-hydroxy-8E,12Z-octadecadienoic acid
Synonyms
3D model of 10R-HODE
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)
XUDNDTZOWNNWHA-HLGVZOAESA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11-12,15,17,19H,2-7,9-10,13-14,16H2,1H3,(H,20,21)/b11-8-,15-12+/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCC/C=C/[C@H](O)C/C=C\CCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Stereoselective oxidation of regioisomeric octadecenoic acids by fatty acid dioxygenases.,
J Lipid Res, 2011
J Lipid Res, 2011
Pubmed ID:
21852690
DOI:
10.1194/jlr.M018259
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.14
Molar Refractivity
88.90
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Updated at
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