Structure Database (LMSD)
Common Name
8R-HODE
Systematic Name
8R-hydroxy-9Z,12Z-octadecadienoic acid
Synonyms
- Laetisaric acid
3D model of 8R-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)
UKRXAPMQXXXXTD-QMEIEYGNSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCC[C@@H](O)/C=C\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
Laetisaria arvalis
(#228946)
Agaricomycetes
(#155619)
Thallphytic alleopathy: isolation and identification of laetisaric Acid.,
Science, 1986
Science, 1986
Pubmed ID:
17774004
Leptomitus lacteus
(#100866)
The biosynthesis of oxylipins of linoleic and arachidonic acids by the sewage fungus Leptomitus lacteus, including the identification of 8R-Hydroxy-9Z,12Z-octadecadienoic acid.,
Lipids, 2000
Lipids, 2000
Pubmed ID:
10695920
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
Admin
Created at
-
Updated at
-