Structure Database (LMSD)
Common Name
14,15-LTE4
Systematic Name
15S-hydroxy-14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
Synonyms
- 14,15-Leukotriene E4
- EXE4
No other lipid differing only in stereochemistry/bond geometry found
3D model of 14,15-LTE4
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)
JLJNENVYAVKECZ-HRXVJLLUSA-N
InChi (Click to copy)
InChI=1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b6-4-,9-7-,10-8+,16-13+/t19-,20-,21+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
464.08
Topological Polar Surface Area
120.85
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
5.46
Molar Refractivity
126.70
Admin
Created at
-
Updated at
14th May 2021