LBF18304HP02
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Fatty acid (脂肪酸) |
Glycerolipid (グリセロ脂質) |
Sphingolipid (スフィンゴ脂質) |
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IDs and Links | |
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LipidBank | DFA8061 |
LipidMaps | LMFA01040045 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18304HP02 |
Methyl-9,16-dihydroperoxy-10,12,14-octadecatrienoic acid | |
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Structural Information | |
Methyl-9,16-dihydroperoxy-10,12,14-octadecatrienoic acid | |
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Formula | C19H32O6 |
Exact Mass | 356.219888756 |
Average Mass | 356.45378 |
SMILES | COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO |
Physicochemical Information | |
It is produced from 9- or 16-hydroperoxy isomer during autooxidation of linoleate Frankel_EN Frankel_EN Toyoda_I et al. Neff_WE et al.. Oxidation of linoleate in presence of Fe(III)-ascorbic acid Toyoda_I et al.. It is produced from 9- or 16-hydroperoxy isomer during oxidation of linoleate by singlet-oxygen Frankel_EN Neff_WE et al. Neff_WE et al.. | |
It reacts with DNA in the presence of Fe ions and ascorbic acid Fujimoto_K et al.. | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after reduction and TMS-derivatization) Neff_WE et al., GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) ToyodaIet al. Neff_WE et al., GC-EIMS(after reduction,hydrogenation and TBDMS-derivatization) ToyodaIet al.,CI-MS Frankel_EN et al. |
UV Spectra | Conjugated triene: λ max=258-260, 268-269, 278-280nm ToyodaIet al. Neff_WE et al. Neff_WE et al. |
IR Spectra | OOH group: 3712-3140cm-1[bonded], 3530-3510cm-1[free]; olefinic protons: 3005cm-1; conjugated trans, cis, trans triene: 960cm-1; conjugated trans, trans, trans triene: 996-991cm-1 ToyodaIet al. Neff_WE et al. Neff_WE et al. |
NMR Spectra | 1H-NMR Neff_WE et al. Neff_WE et al.: C2: 2.30-2.37ppm; C8,17: 1.50-1.85ppm; C9, 16: 4.34-4.42ppm; C10, 11, 12, 13, 14, 15: 5.25-6.90ppm; C18: 0.94-0.95ppm; OOH:7.70-7.94ppm |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||
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