LBF18304HP03
| 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 | DFA8062 |
| LipidMaps | LMFA01040046 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18304HP03 |
| Methyl-13,16-Dihydroperoxy-9,11,14-Octadecatrienoate | |
|---|---|
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| Structural Information | |
| Methyl-13,16-Dihydroperoxy-9,11,14-Octadecatrienoate | |
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| Formula | C19H32O6 |
| Exact Mass | 356.219888756 |
| Average Mass | 356.45378 |
| SMILES | COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO |
| Physicochemical Information | |
| It is produced from a 16-hydroperoxy isomer during autooxidation of linoleate Frankel_EN Frankel_EN Neff_WE et al.;>. It is produced from 13- or 16-hydroperoxy isomer during oxidation of linoleate by singlet-oxygen Frankel_EN Neff_WE et al. Neff_WE et al.;>. | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction and TMS-derivatization) Neff_WE et al.: m/e=453[M-CH3]; 439[M -CH2CH3]; 437[M-OCH3]; 378[M-HOTMS]; 143[(CH2)6C00CH3], GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)(102) m/e=443[M-OCH3]; 315[SMTO=CH(CH2)11COOCH3] |
| UV Spectra | Conjugated diene: lmax=233-235nm 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 cis, trans diene: 988-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1 Neff_WE et al. Neff_WE et al. |
| NMR Spectra | 1H-NMR Neff_WE et al. Neff_WE et al.: C2: 2.3ppm; C8, 17: 1.8-2.2ppm; C9, 10, 11, 12, 14, 15: 5.26-6.28ppm, C13, 16: 4.40-4.42ppm; C18: 1.02ppm; OOH: 8.07ppm |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||
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