Structure Database (LMSD)
Common Name
14,15-Ep-11-HETrE
Systematic Name
11-hydroxy-14,15-epoxy-5Z,8Z,12E-eicosatrienoic acid
Synonyms
LM ID
LMFA03080008
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 14,15-Ep-11-HETrE
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)
WLMZMBKVRPUYIG-LTCHCNGXSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+
SMILES (Click to copy)
C(/C=C\C/C=C\CCCC(=O)O)C(O)/C=C/C1OC1CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
366.80
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.26
Molar Refractivity
98.49
Admin
Created at
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Updated at
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