LBF21503HO04

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8100
LipidMaps	LMFA03070017
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF21503HO04

Methyl 11-Hydroperoxy-5,8,12,14,17-Icosapentaenoate
Structural Information
Systematic Name	Methyl 11-Hydroperoxy-5,8,12,14,17-Icosapentaenoate
Common Name	Methyl 11-Hydroperoxy-5,8,12,14,17-Icosapentaenoate
Symbol
Formula
Exact Mass
Average Mass
SMILES
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	Autooxidation of icosapentaenoate Yamauchi_R et al.. Oxidation of icosapentaenoate by singlet-oxygen Yamauchi_R et al.. Oxidation of icosapentaenoate in the presence of myoglobin.
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note	Isomerization of hydroperoxides generated from icosapentaenoete by autooxidation: the proportion of 5-, 18-isomer (outer hydroperoxides) is higher than that of other isomer (8-,9-,11-,12-,14-,15-isomer[inner hydroperoxides]).
Spectral Information
Mass Spectra	GC-EI-MS(after reduction and TMS-derivatization) YamauchiRet al.: m/e=404[M]; 389[M-CH3] 314[M-HOTMS], GC-EI-MS(Me-ester: after reduction, hydrogenation and TMS-derivatization) YamauchiRet al.: m/e=399[M-CH3]; 383[M-OCH3]; 367[399-CH3OH]
UV Spectra	conjugated diene: lambdamax=235.5nm YamauchiRet al.
IR Spectra	OOH group: 3400cm-1 YamauchiRet al.
NMR Spectra	1H-NMR YamauchiRet al.: OOH proton: 8.5ppm
Other Spectra
Chromatograms