LBF18304HP04
| 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) |
| IDs and Links | |
|---|---|
| LipidBank | DFA8065 |
| LipidMaps | LMFA01040049 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18304HP04 |
| Methyl-10,16-dihydroperoxy- (8E,12Z,14E) -octadecatrienoic acid | |
|---|---|
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| Structural Information | |
| Methyl-10,16-dihydroperoxy- (trans-8,cis-12,trans-14) -octadecatrienoic acid | |
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| Formula | C19H32O6 |
| Exact Mass | 356.219888756 |
| Average Mass | 356.45378 |
| SMILES | COC(=O)CCCCCCC=CC(OO)CC=CC=CC(CC)OO |
| Physicochemical Information | |
| It is produced from 10- 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.: m/e=468[M]; 439[M-CH2CH3]; 437[M-OCH3]; 378[M-HOTMS]; 349[439-HOTMS]; 271[SMTO=CHCH=CH(CH2)6COOCH3]; 197[M-271]; CI-MS(110): m/e=339[M+H-H20]; 323[M-OOH]; 305[323-H2O]; 199[CHOCH=CH(CH2)6COOCH3+H] |
| UV Spectra | Conjugated diene: λ max=232nm Neff_WE et al. |
| IR Spectra | OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated cis,trans 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; C7, 11, 17: 2.08ppm; C8, 9, 12, 13, 15: 5.25-6.25ppm; C10, 16: 4.34ppm; C14: 6.55ppm; C18: 0.93ppm; OOH: 8.04ppm Neff_WE et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||||||||||||
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