Structure Database (LMSD)
Common Name
14,15-epoxy,16-HETE
Systematic Name
14,15-epoxy-16-hydroxy-5Z,8Z,11Z,17Z-eicosapentaenoic acid
Synonyms
- 16,14-HepETE
LM ID
LMFA03060115
Status
Active
Exact Mass
Calculate m/z
334.21441
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XLNZQNDISSCYFM-USAVYAABSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-14-17(21)20-18(24-20)15-12-10-8-6-4-5-7-9-11-13-16-19(22)23/h3-4,6-7,9-10,12,14,17-18,20-21H,2,5,8,11,13,15-16H2,1H3,(H,22,23)/b6-4-,9-7-,12-10-,14-3-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CC1OC1C(O)/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
364.16
Topological Polar Surface Area
70.06
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.03
Molar Refractivity
98.39
Admin
Created at
19th May 2020
Updated at
19th May 2020