Structure Database (LMSD)
Common Name
8-HETrE
Systematic Name
(9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid
Synonyms
- (9E,11Z,14Z)-8-hydroxyeicosa-9,11,14-trienoic acid
- 8-hydroxy-9E,11Z,14Z-eicosatrienoic acid
- 8-hydroxy-9E,11Z,14Z-icosatrienoic acid
3D model of 8-HETrE
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)
SKIQVURLERJJCK-SFULQBOPSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+
SMILES (Click to copy)
C(/C=C/C(O)CCCCCCC(O)=O)=C/C/C=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
370.37
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.70
Molar Refractivity
98.04
Admin
Created at
-
Updated at
-