LBF18108HO06: Difference between revisions

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|LipidBank=DFA8040
|LipidBank=DFA8040
|LipidMaps=LMFA01050137
|LipidMaps=LMFA01050137
|SysName=9-Hydroxy-13-Oxo-10-Octadecenoic Acid
|SysName=9-Hydroxy-13-oxo-10-octadecenoic acid
|Common Name=&&9-Hydroxy-13-Oxo-10-Octadecenoic Acid&&
|Common Name=&&9-Hydroxy-13-oxo-10-octadecenoic acid&&
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[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}}]][[Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[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}}]][[Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]
|IR Spectra=Metyl ester: isolated trans olefin(970cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), keto carbonyl(1717cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460cm<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: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=Metyl ester: isolated trans olefin(970cm^{-1}), keto carbonyl(1717cm^{-1}), OH(3460cm^{-1}) [[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}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester, trans ene)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]]: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm)
|NMR Spectra=^1 H-NMR(methyl ester, trans ene)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]]: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm)
|Source=A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond shows trans configuration][[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:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]. A bitter substance in lecithin[[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}}]]. Production mechanism.
|Source=A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond shows trans configuration][[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:Gardner_HW:Kleiman_R:,Lipids,1979,14,848|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:,Lipids,1979,14,848}}]]. A bitter substance in lecithin[[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}}]]. Production mechanism<!--8074-->.
|Chemical Synthesis=
|Chemical Synthesis=
|Metabolism=
|Metabolism=

Latest revision as of 21:00, 14 April 2010

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Upper classes: LB LBF



9-Hydroxy-13-oxo-10-octadecenoic acid
LBF18108HO06.png
Structural Information
9-Hydroxy-13-oxo-10-octadecenoic acid
  • 9-Hydroxy-13-oxo-10-octadecenoic acid
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O
Physicochemical Information
A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond shows trans configuration] Gardner_HW et al. Gardner_HW et al.. A bitter substance in lecithin Sessa_DJ et al.. Production mechanism.
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Sessa_DJ et al. Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Gardner_HW et al.
UV Spectra
IR Spectra Metyl ester: isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) Gardner_HW et al. Sessa_DJ et al.
NMR Spectra 1H-NMR(methyl ester, trans ene) Gardner_HW et al.: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18108HO06 See above. Gardner_HW et al. 1979
n.a. LBF18108HO06 See above. Gardner_HW et al. 1974
n.a. LBF18108HO06 See above. Sessa_DJ et al. 1977