Structure Database (LMSD)
Common Name
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
Systematic Name
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060045
Formula
Exact Mass
Calculate m/z
336.23006
Sum Composition
Status
Active
3D model of 14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
QONRJGQXXMFQBY-YKEHQFFYSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-13-16-19(24-23)17-14-11-9-7-5-6-8-10-12-15-18-20(21)22/h5,7-8,10-11,13-14,16,19,23H,2-4,6,9,12,15,17-18H2,1H3,(H,21,22)/b7-5-,10-8-,14-11-,16-13+
SMILES (Click to copy)
C(/C/C=C\CC(OO)/C=C/CCCC)=C/C/C=C\CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
376.52
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.14
Molar Refractivity
99.30
Admin
Created at
-
Updated at
-