Structure Database (LMSD)
Common Name
12S-HETE
Systematic Name
12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
Synonyms
- 12-HETE
3D model of 12S-HETE
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)
ZNHVWPKMFKADKW-LQWMCKPYSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/CCCC(=O)O)=C/C/C=C\C=C\[C@@H](O)C/C=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
367.73
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.47
Molar Refractivity
97.94
Admin
Created at
-
Updated at
21st Nov 2021