LBF18303HP01: Difference between revisions
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{{Metabolite | {{Metabolite |
Revision as of 15:30, 26 July 2009
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 | DFA8050 |
LipidMaps | LMFA01040013 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18303HP01 |
9-Hydroperoxy-10,12,15-Octadecatrienoic Acid | |
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Structural Information | |
9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate | |
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Formula | C18H30O4 |
Exact Mass | 310.21440944799997 |
Average Mass | 310.4284 |
SMILES | CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation) Chan_HWS Chan_HWS et al.: m/e=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS) TeraoJet al. Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3] |
UV Spectra | (Me-ester; after reduction; in etoh) Chan_HWS et al., trans, cis, cis isomer: lmax=236nm trans, trans, cis isomer: lmax=232nm |
IR Spectra | (Me-ester; after reduction) Chan_HWS et al. Frankel_EN et al., trans, cis, cis isomer:9 88-983 AND 951-945cm-1; trans, trans, cis isomer: 992-983cm-1 (Me-ester) ToyodaIet al., OOH group: 3400cm-1 |
NMR Spectra | |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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