LBF20503HP04

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Upper classes: LB LBF



Methyl-6-hydroperoxy-4,8,11,14,17-eicosapentaenoic acid
LBF20503HP04.png
Structural Information
Methyl-6-hydroperoxy-4,8,11,14,17-eicosapentaenoic acid
  • Methyl-6-hydroperoxy-4,8,11,14,17-eicosapentaenoic acid
Formula C21H32O4
Exact Mass 348.23005951199997
Average Mass 348.47637999999995
SMILES CCC=CCC=CCC=CCC=CCC(OO)C=CCCC(=O)OC
Physicochemical Information
Oxidation of icosapentaenoate by singlet-oxygen Yamauchi_R et al..
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(after reduction, hydrogenation, and TMS-derivatization) YamauchiRet al.: m/e=399[M-CH3]; 383[M-OCH3]; 367[399-CH3OH]; 299[SMTO=CH(CH2)13CH3]
UV Spectra
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. LBF20503HP04 See above. Yamauchi_R et al. 1983