Structure Database (LMSD)
Common Name
6-epi-LTA4
Systematic Name
5S,6R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
- 6-epi-Leukotriene A4
3D model of 6-epi-LTA4
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)
UFPQIRYSPUYQHK-NSEFZGNTSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C/C=C/C=C/[C@H]1O[C@H]1CCCC(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana
(#3702)
Magnoliopsida
(#3398)
Biosynthesis, isolation, and NMR analysis of leukotriene A epoxides: substrate chirality as a determinant of the cis or trans epoxide configuration.,
J Lipid Res, 2013
J Lipid Res, 2013
Pubmed ID:
23242647
DOI:
10.1194/jlr.M033746
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
355.37
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.78
Molar Refractivity
96.49
Admin
Created at
-
Updated at
28th May 2021