Structure Database (LMSD)
Common Name
5S,6-Ep-18S-HEPE
Systematic Name
5S,6-epoxy,18S-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
LM ID
LMFA03070040
Formula
Exact Mass
Calculate m/z
332.19876
Sum Composition
Status
Active
3D model of 5S,6-Ep-18S-HEPE
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)
ZPAJZAMPZXISSE-RXTGXWMYSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3-,8-6-,9-7+,13-10+,14-11+/t17-,18+,19-/m0/s1
SMILES (Click to copy)
C(CCC[C@@H]1O[C@@H]1/C=C/C=C/C=C\C/C=C\C=C\[C@@H](O)CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Pro-resolving actions and stereoselective biosynthesis of 18S E-series resolvins in human leukocytes and murine inflammation.,
J Clin Invest, 2011
J Clin Invest, 2011
Pubmed ID:
21206090
DOI:
10.1172/JCI42545
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
361.52
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.81
Molar Refractivity
98.30
Admin
Created at
-
Updated at
14th Jun 2021