Structure Database (LMSD)
Common Name
13R-HODE
Systematic Name
13R-hydroxy-9Z,11E-octadecadienoic acid
Synonyms
- Coriolic acid
3D model of 13R-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)
HNICUWMFWZBIFP-PIHGWCCBSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m1/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bos taurus
(#9913)
Mammalia
(#40674)
Stereospecificity of the hydroxyeicosatetraenoic and hydroxyoctadecadienoic acids produced by cultured bovine endothelial cells.,
Biochim Biophys Acta, 1991
Biochim Biophys Acta, 1991
Pubmed ID:
1892877
Coriaria
(#3459)
Magnoliopsida
(#3398)
Structure and intraglyceride distribution of coriolic acid.,
Lipids, 1968
Lipids, 1968
Pubmed ID:
17805822
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
25th May 2021