LBF18104HP01: Difference between revisions

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{{Lipid/Header}}
{{Hierarchy|{{PAGENAME}}}}
{{Hierarchy|{{PAGENAME}}}}


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|LipidBank=DFA8076
|LipidBank=DFA8076
|LipidMaps=LMFA01040057
|LipidMaps=LMFA01040057
|SysName=Methyl-10,12,13,16-Bisepidioxy-9-Hydroperoxy-14-Octadecenoate
|SysName=Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8085>>: m/e=259[SMTO=CH(CH2)7COOCH3]; 185[M-259]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)<<8085>>: m/e=389[M-259-HOTMS]; 387[M-261-HOTMS]; 297[387-HOTMS]
|Common Name=&&Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid&&
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR<<8085>>: C8: 1.6ppm; C9: 4.08ppm; C10, 12, 13, 16: 4.45ppm; C11: 2.1-2.7ppm; C14, 15: 5.68ppm; OOH: 8.45ppm
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=259[SMTO=CH(CH2)7COOCH3]; 185[M-259]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=389[M-259-HOTMS]; 387[M-261-HOTMS]; 297[387-HOTMS]
|NMR Spectra=^1 H-NMR[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: C8: 1.6ppm; C9: 4.08ppm; C10, 12, 13, 16: 4.45ppm; C11: 2.1-2.7ppm; C14, 15: 5.68ppm; OOH: 8.45ppm
|Source=It is produced from 10,12-epidioxy-9-hydroperoxides by singlet-oxygen mediated oxidation of 12-peroxyradical linoleate via 1,3-cyclization[[Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197}}]][[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]].
|Chemical Synthesis=
|Metabolism=
}}
}}
{{Lipid/Footer}}

Latest revision as of 14:33, 26 May 2010

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Upper classes: LB LBF



IDs and Links
LipidBank DFA8076
LipidMaps LMFA01040057
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF18104HP01
Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
Structural Information
Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
  • Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
Formula C19H32O8
Exact Mass 388.20971799999995
Average Mass 388.45258
SMILES C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1
Physicochemical Information
It is produced from 10,12-epidioxy-9-hydroperoxides by singlet-oxygen mediated oxidation of 12-peroxyradical linoleate via 1,3-cyclization Frankel_EN Neff_WE et al..
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=259[SMTO=CH(CH2)7COOCH3]; 185[M-259]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization) Neff_WE et al.: m/e=389[M-259-HOTMS]; 387[M-261-HOTMS]; 297[387-HOTMS]
UV Spectra
IR Spectra
NMR Spectra 1H-NMR Neff_WE et al.: C8: 1.6ppm; C9: 4.08ppm; C10, 12, 13, 16: 4.45ppm; C11: 2.1-2.7ppm; C14, 15: 5.68ppm; OOH: 8.45ppm
Other Spectra
Chromatograms
[hide]Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18104HP01 See above. Frankel_EN 1984
n.a. LBF18104HP01 See above. Neff_WE et al. 1984


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