Structure Database (LMSD)
Common Name
20-carboxyleukotriene E4
Systematic Name
6R-(S-cysteinyl)-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenedioic acid
Synonyms
- 20-carboxy-LTE4
3D model of 20-carboxyleukotriene E4
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)
HVLRBLGTGJGVCX-SKJZCNKWSA-N
InChi (Click to copy)
InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)[C@H](SC[C@H](N)C(=O)O)/C=C/C=C/C=C\C/C=C\CCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
479.02
Topological Polar Surface Area
158.15
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
4.52
Molar Refractivity
128.66
Admin
Created at
20th Jan 2022
Updated at
20th Jan 2022