LBF18206OX01: Difference between revisions

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|LipidMaps=LMFA01060071
|LipidMaps=LMFA01060071
|SysName=9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
|SysName=9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
|Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation)<<8056/8071/8012/8069>>: m/e=308[M], 277[M-OCH3], 237[M-(CH2)4CH3], 185[C(O)(CH2)6COOCH3], 166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2; Maclafferty transposition] 151[M-(CH2)7COOCH3]GC-EI-MS(TMS)<<8013>>: m/e=366[M], 341[M-CH3], 295[ [M-(CH2)4CH3], 276[M-HOTMS]
|Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation)[[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}}]][[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], 237[M-(CH2)4CH3], 185[C(O)(CH2)6COOCH3], 166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2; Maclafferty transposition] 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]
|UV Spectra=<FONT FACE="Symbol">l</FONT> MeOH /max=277-278nm(<FONT FACE="Symbol">e</FONT>=20300),<FONT FACE="Symbol">l</FONT>max=267nm(cyclohexane)<<8013/8059/8056/8071>>
|UV Spectra=<FONT FACE="Symbol">l</FONT> MeOH /max=277-278nm(<FONT FACE="Symbol">e</FONT>=20300),<FONT FACE="Symbol">l</FONT>max=267nm(cyclohexane)[[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}}]]
|IR Spectra=Trans, trans unsaturations(strong absorption at 1000-990cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans,cis 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>) <<8013/8059/8056/8071/8069>>
|IR Spectra=Trans, trans unsaturations(strong absorption at 1000-990cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans,cis 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}}]][[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}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR<<8013/8071>>: C8(2.54ppm), C10, 12, 13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm)
|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(2.54ppm), C10, 12, 13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm)
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank DFA8046
LipidMaps LMFA01060071
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF18206OX01
GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18206OX01.png
Structural Information
9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
Formula C18H30O3
Exact Mass 294.21949482599996
Average Mass 294.429
SMILES CCCCCC=CC=CC(=O)CCCCCCCC(O)=O
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and hydrogenation) SchieberlePet al. Sessa_DJ et al. Frankel_EN et al. Gardner_HW et al.: m/e=308[M], 277[M-OCH3], 237[M-(CH2)4CH3], 185[C(O)(CH2)6COOCH3], 166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2; Maclafferty transposition] 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]
UV Spectra l MeOH /max=277-278nm(e=20300),lmax=267nm(cyclohexane) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al.
IR Spectra Trans, trans unsaturations(strong absorption at 1000-990cm-1), trans,cis unsaturations(960-955cm-1), unsaturated ketone(1695-1600cm-1) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al. Gardner_HW et al.
NMR Spectra 1H-NMR Gardner_HW et al. Sessa_DJ et al.: C8(2.54ppm), C10, 12, 13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18206OX01 See above. Frankel_EN et al. 1977
n.a. LBF18206OX01 See above. Fujimoto_K 1986
n.a. LBF18206OX01 See above. Gardner_HW et al. 1974
n.a. LBF18206OX01 See above. Gardner_HW et al. 1984
n.a. LBF18206OX01 See above. Schieberle_P et al. 1979
n.a. LBF18206OX01 See above. Sessa_DJ et al. 1977
n.a. LBF18206OX01 See above. Streckert_G et al. 1975
n.a. LBF18206OX01 See above. Yamamoto_Y et al. 1984
n.a. LBF18206OX01 See above. Yamamoto_Y et al. 1984
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