LBF18302HP03

LipidBank Top
(トップ)
Fatty acid
(脂肪酸)
Glycerolipid
(グリセロ脂質)
Sphingolipid
(スフィンゴ脂質)
Journals
(雑誌一覧)
How to edit
(ページの書き方)


Upper classes: LB LBF



Methyl-9,15-dihydroperoxy-10,12,16-octadecatrienoic acid
LBF18302HP03.png
Structural Information
Methyl-9,15-dihydroperoxy-10,12,16-octadecatrienoic acid
  • Methyl-9,15-dihydroperoxy-10,12,16-octadecatrienoic acid
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC
Physicochemical Information
It is produced from 9- or 15-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.: m/e=157[(CH2)7COOCH3] 143[SMTO=CHCH=CHCH3]
UV Spectra Conjugated diene: λ max=237nm Neff_WE et al.
IR Spectra OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated trans, cis diene: 985-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1 Neff_WE et al.
NMR Spectra 1H-NMR Neff_WE et al.: C2: 2.31ppm; C8, 14: 1.75-1.85ppm; C9, 15: 4.40ppm; C10, 11, 12, 13, 16, 17: 5.25-6.90ppm; C18: 1.8ppm; OOH: 7.83-7.88ppm Neff_WE et al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18302HP03 See above. Frankel_EN 1984
n.a. LBF18302HP03 See above. Fujimoto_K et al. 1984
n.a. LBF18302HP03 See above. Neff_WE et al. 1984
n.a. LBF18302HP03 See above. Neff_WE et al. 1982