LBF18207OX01: Difference between revisions

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|LipidMaps=LMFA01060072
|LipidMaps=LMFA01060072
|SysName=13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
|SysName=13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)<<8014/8071/8012/8069>>: 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)<<8013>>: m/e=366[M], 341[M-CH3], 295[M-(CH2)4CH3], 276[M-HOTMS], 166[M-(CH2)6C(=O)OTMS]; REARRA
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Hamberg_M:,Lipids,1975,10,87|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:,Lipids,1975,10,87}}]][[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908}}]][[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]]: 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)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]]: m/e=366[M], 341[M-CH3], 295[M-(CH2)4CH3], 276[M-HOTMS], 166[M-(CH2)6C(=O)OTMS]; REARRA
|UV Spectra=<FONT FACE="Symbol">l</FONT>MeOH/max=277-278nm(<FONT FACE="Symbol">e</FONT>=20300)<<8013/8059/8056>>(038/078/075), <FONT FACE="Symbol">l</FONT> EtOH /max=278nm<<8013>>, <FONT FACE="Symbol">l</FONT>max=267nm(cyclohexane)<<8071>>, DNP hydrazone: <FONT FACE="Symbol">l</FONT>CHCl3/max=388, 304, 265nm<<8075>>
|UV Spectra=<FONT FACE="Symbol">l</FONT>MeOH/max=277-278nm(<FONT FACE="Symbol">e</FONT>=20300)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448}}]](038/078/075), <FONT FACE="Symbol">l</FONT> EtOH /max=278nm[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]], <FONT FACE="Symbol">l</FONT>max=267nm(cyclohexane)[[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]], DNP hydrazone: <FONT FACE="Symbol">l</FONT>CHCl3/max=388, 304, 265nm[[Reference:Garssen_GJ:Vliegenthart_JF:Boldingh_J:,Biochem. J.,1971,122,327|{{RelationTable/GetFirstAuthor|Reference:Garssen_GJ:Vliegenthart_JF:Boldingh_J:,Biochem. J.,1971,122,327}}]]
|IR Spectra=Trans, trans unsaturations(strong absorption at 1000-990cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis, trans unsaturations(960-955cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), unsaturated ketone(1695-1600cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)<<8013/8059/8056/8071>>
|IR Spectra=Trans, trans unsaturations(strong absorption at 1000-990cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis, trans unsaturations(960-955cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), unsaturated ketone(1695-1600cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448}}]][[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR<<8013/8071>>: C8(2.20-2.23ppm), C9, 10, 12(6.06-6.21ppm), C11(7.02-7.51ppm) C14(2.54ppm)
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613|{{RelationTable/GetFirstAuthor|Reference:Sessa_DJ:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1977,12,613}}]]: C8(2.20-2.23ppm), C9, 10, 12(6.06-6.21ppm), C11(7.02-7.51ppm) C14(2.54ppm)
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank DFA8047
LipidMaps LMFA01060072
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF18207OX01
GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18207OX01.png
Structural Information
13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
Formula C18H30O3
Exact Mass 294.21949482599996
Average Mass 294.429
SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O
Physicochemical Information
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 lMeOH/max=277-278nm(e=20300) Gardner_HW et al. StreckertGet al. SchieberlePet al.(038/078/075), l EtOH /max=278nm Gardner_HW et al., lmax=267nm(cyclohexane) Sessa_DJ et al., DNP hydrazone: lCHCl3/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
Biospecies ID Compound Name Reference Comment
n.a. LBF18207OX01 See above. Frankel_EN et al. 1977
n.a. LBF18207OX01 See above. Fujimoto_K 1986
n.a. LBF18207OX01 See above. Gardner_HW et al. 1974
n.a. LBF18207OX01 See above. Gardner_HW et al. 1984
n.a. LBF18207OX01 See above. Garssen_GJ et al. 1971
n.a. LBF18207OX01 See above. Hamberg_M 1975
n.a. LBF18207OX01 See above. Schieberle_P et al. 1979
n.a. LBF18207OX01 See above. Sessa_DJ et al. 1977
n.a. LBF18207OX01 See above. Streckert_G et al. 1975
n.a. LBF18207OX01 See above. Yamamoto_Y et al. 1984
n.a. LBF18207OX01 See above. Yamamoto_Y et al. 1984
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