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
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
Classification
References
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
Other Databases
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