Structure Database (LMSD)
Common Name
15S-HpEDE
Systematic Name
15S-hydroperoxy-11Z,13E-eicosadienoic acid
Synonyms
LM ID
LMFA01040030
Formula
Exact Mass
Calculate m/z
340.26136
Sum Composition
Status
Active
3D model of 15S-HpEDE
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)
KEXNVBSLXJLOPR-XMSPSUPSSA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h9,11,14,17,19,23H,2-8,10,12-13,15-16,18H2,1H3,(H,21,22)/b11-9-,17-14+/t19-/m0/s1
SMILES (Click to copy)
C(/C=C\C=C\[C@@H](OO)CCCCC)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
381.80
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.59
Molar Refractivity
99.49
Admin
Created at
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Updated at
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