LBF18303HP05: Difference between revisions

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|LipidMaps=LMFA01040044
|LipidMaps=LMFA01040044
|SysName=Methyl-9,12-Dihydroperoxy-10,13,15-Octadecatrienoate
|SysName=Methyl-9,12-Dihydroperoxy-10,13,15-Octadecatrienoate
|Mass Spectra=GC-EI-MS(after reduction and TMS-derivatization)<<8084>>: m/e=453[M-CH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[M-(CH2)7COOCH3]; 221[311-HOTMS]; 157[(CH2)7COOCH3], GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)(102) m/e=443[M-OCH3]
|Mass Spectra=GC-EI-MS(after reduction and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: m/e=453[M-CH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[M-(CH2)7COOCH3]; 221[311-HOTMS]; 157[(CH2)7COOCH3], GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)(102) m/e=443[M-OCH3]
|UV Spectra=Conjugated diene: <FONT FACE="Symbol">l</FONT>max=233-235nm<<8081/8084>>
|UV Spectra=Conjugated diene: <FONT FACE="Symbol">l</FONT>max=233-235nm[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]][[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
|IR Spectra=OOH group: 3712-3140cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded], 3530-3510cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[free]; olefinic protons: 3005cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; conjugated trans, cis diene: 988-979cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, 953-935cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 968-960cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP><<8081/8084>>
|IR Spectra=OOH group: 3712-3140cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded], 3530-3510cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[free]; olefinic protons: 3005cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; conjugated trans, cis diene: 988-979cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, 953-935cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 968-960cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]][[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR<<8081/8084>>: C2: 2.3ppm; C8, 17: 1.8-2.2ppm; C9, 12: 4.40-4.42, 4.86ppm; C10, 11, 13, 14, 15, 16: 5.26-6.28ppm; C18: 1.02ppm; OOH: 8.07ppm
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]][[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: C2: 2.3ppm; C8, 17: 1.8-2.2ppm; C9, 12: 4.40-4.42, 4.86ppm; C10, 11, 13, 14, 15, 16: 5.26-6.28ppm; C18: 1.02ppm; OOH: 8.07ppm
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18303HP05.png
Structural Information
Methyl-9,12-Dihydroperoxy-10,13,15-Octadecatrienoate
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES CCC=CC=CC(OO)C=CC(OO)CCCCCCCC(=O)OC
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after reduction and TMS-derivatization) Neff_WE et al.: m/e=453[M-CH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[M-(CH2)7COOCH3]; 221[311-HOTMS]; 157[(CH2)7COOCH3], GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)(102) m/e=443[M-OCH3]
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 trans, cis 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, 12: 4.40-4.42, 4.86ppm; C10, 11, 13, 14, 15, 16: 5.26-6.28ppm; C18: 1.02ppm; OOH: 8.07ppm
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18303HP05 See above. Frankel_EN 1983
n.a. LBF18303HP05 See above. Frankel_EN 1984
n.a. LBF18303HP05 See above. Fujimoto_K et al. 1984
n.a. LBF18303HP05 See above. Neff_WE et al. 1984
n.a. LBF18303HP05 See above. Neff_WE et al. 1981
n.a. LBF18303HP05 See above. Neff_WE et al. 1982