LBF18107OX02: Difference between revisions

Revision as of 08:15, 19 December 2008

Upper classes: LB LBF

13-Hydroxy-10-Oxo-11-Octadecenoic Acid

Structural Information
	13-Hydroxy-10-Oxo-11-Octadecenoic Acid
	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

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01060069
 |SysName=13-Hydroxy-10-Oxo-11-Octadecenoic Acid
+|Common Name=&&13-Hydroxy-10-Oxo-11-Octadecenoic Acid&&
 |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)[[Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311|{{RelationTable/GetFirstAuthor|Reference:Gardner_WH:,J. Lipid. Res.,1970,11,311}}]]