LBF18107OX02: Difference between revisions

No edit summary
 
No edit summary
Line 5: Line 5:
|LipidMaps=LMFA01060069
|LipidMaps=LMFA01060069
|SysName=13-Hydroxy-10-Oxo-11-Octadecenoic Acid
|SysName=13-Hydroxy-10-Oxo-11-Octadecenoic Acid
|Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation)<<8067>>: m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO]
|Mass Spectra=GC-EI-MS(after methanolysis and hydrogenation)[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]: m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO]
|UV Spectra=<FONT FACE="Symbol">l</FONT> EtOH /max=226nm(<FONT FACE="Symbol">e</FONT>=9900&Aring; }1100), <FONT FACE="Symbol">l</FONT> EtOH /max=275nm(<FONT FACE="Symbol">e</FONT>260&Aring; }30)<<8067>>
|UV Spectra=<FONT FACE="Symbol">l</FONT> EtOH /max=226nm(<FONT FACE="Symbol">e</FONT>=9900&Aring; }1100), <FONT FACE="Symbol">l</FONT> EtOH /max=275nm(<FONT FACE="Symbol">e</FONT>260&Aring; }30)[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]
|IR Spectra=Trans unsaturation(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated C=O(1617cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460,1070cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) <<8067>>
|IR Spectra=Trans unsaturation(973cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), conjugated C=O(1617cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3460,1070cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR<<8067>>: C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm)
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]: C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm)
}}
}}

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
LBF18107OX02.png
Structural Information
13-Hydroxy-10-Oxo-11-Octadecenoic Acid
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES CCCCCC(O)C=CC(=O)CCCCCCCCC(O)=O
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and hydrogenation) Gardner_WH : m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO]
UV Spectra l EtOH /max=226nm(e=9900Å }1100), l EtOH /max=275nm(e260Å }30) Gardner_WH
IR Spectra Trans unsaturation(973cm-1), conjugated C=O(1617cm-1), OH(3460,1070cm-1) Gardner_WH
NMR Spectra 1H-NMR Gardner_WH : C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18107OX02 See above. Gardner_HW 1975
n.a. LBF18107OX02 See above. Gardner_WH 1970