LBF18207OX01
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 | |
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LipidBank | DFA8047 |
LipidMaps | LMFA01060072 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18207OX01 |
13-KODE | |
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Structural Information | |
13-Oxo-9,11-octadecadienoic acid | |
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Formula | C18H30O3 |
Exact Mass | 294.21949482599996 |
Average Mass | 294.429 |
SMILES | CCCCCC(=O)C=CC=CCCCCCCCC(O)=O |
Physicochemical Information | |
A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[trans, trans; or trans, cis] Gardner_HW et al.. A degradation product of hydroperoxymethyllinoleate in the presence of di-t-butyl diperoxyoxalate or Co(II) Yamamoto_Y et al.. | |
It showed a slightly lower toxicity than linoleate monohydroxyperoxide Fujimoto_K . | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) HambergM Sessa_DJ et al. Frankel_EN et al. Gardner_HW et al.: m/e=308[M], 277[M-OCH3], 252[M-CH2=C H-CH2CH3], 237[M-(CH2)4CH3], 209[M-C(O)(CH2)4CH3], 151[M-(CH2)7COOCH3], GC-EI-MS(TMS) Gardner_HW et al.: m/e=366[M], 341[M-CH3], 295[M-(CH2)4CH3], 276[M-HOTMS], 166[M-(CH2)6C(=O)OTMS]; REARRA |
UV Spectra | λ MeOH/max=277-278nm( ε =20300) Gardner_HW et al. StreckertGet al. SchieberlePet al.(038/078/075), λ EtOH /max=278nm Gardner_HW et al., λ max=267nm(cyclohexane) Sessa_DJ et al., DNP hydrazone: λ CHCl3/max=388, 304, 265nm Garssen_GJ et al. |
IR Spectra | Trans, trans unsaturations(strong absorption at 1000-990cm-1), cis, trans unsaturations(960-955cm-1), unsaturated ketone(1695-1600cm-1) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al. |
NMR Spectra | 1H-NMR Gardner_HW et al. Sessa_DJ et al.: C8(2.20-2.23ppm), C9, 10, 12(6.06-6.21ppm), C11(7.02-7.51ppm) C14(2.54ppm) |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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