Structure Database (LMSD)
Common Name
20-hydroxy-LTE4
Systematic Name
5S,20-dihydroxy-6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
- 20-hydroxy-Leukotriene E4
3D model of 20-hydroxy-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)
BJRMBXPQAMDCMG-CMJQBAFXSA-N
InChi (Click to copy)
InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCCCO)=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(O)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Omega-oxidation of cysteine-containing leukotrienes by rat-liver microsomes. Isolation and characterization of omega-hydroxy and omega-carboxy metabolites of leukotriene E4 and N-acetylleukotriene E4.,
Eur J Biochem, 1987
Eur J Biochem, 1987
Pubmed ID:
2826163
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
472.87
Topological Polar Surface Area
141.08
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
4.71
Molar Refractivity
128.60
Admin
Created at
-
Updated at
7th Dec 2022