LBF20503HP06

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Upper classes: LB LBF



Methyl-9-hydroperoxy-5,7,11,14,17-eicosapentaenoic acid
LBF20503HP06.png
Structural Information
Methyl-9-hydroperoxy-5,7,11,14,17-eicosapentaenoic acid
  • Methyl-9-hydroperoxy-5,7,11,14,17-eicosapentaenoic acid
Formula C21H32O4
Exact Mass 348.23005951199997
Average Mass 348.47637999999995
SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC
Physicochemical Information
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.
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) (125): m/e=399[M-CH3]; 383[M-OCH3]; 367[399-CH3OH]
UV Spectra conjugated diene: λ max=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
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20503HP06 See above. Yamauchi_R et al. 1983