LBF18304HP01: Difference between revisions

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|LipidMaps=LMFA01040016
|LipidMaps=LMFA01040016
|SysName=16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-Octadecatrienoate
|SysName=16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-Octadecatrienoate
|Common Name=&&16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-Octadecatrienoate&&
|Common Name=&&16-Hydroperoxy-9,12,14-Octadecatrienoic Acid&&16-Hydroperoxy-9,12,14-Octadecatrienoate&&
|Mass Spectra=EI-MS(Me-ester; after reduction and hydrogenation)[[Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]]: m/e=285[O=CH(CH2)14C(=OH)OCH3]; 256[CH2(CH2)13C(=OH)OCH3]; 253[O=CH(CH2)14C=O], GC-EI-MS(Me-ester; after reduction,tms)[[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]]: m/e=380[M]; 365[M-CH3]; 351[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-(CH2)7-COOCH3]
|Mass Spectra=EI-MS(Me-ester; after reduction and hydrogenation)[[Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]]: m/e=285[O=CH(CH2)14C(=OH)OCH3]; 256[CH2(CH2)13C(=OH)OCH3]; 253[O=CH(CH2)14C=O], GC-EI-MS(Me-ester; after reduction,tms)[[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]]: m/e=380[M]; 365[M-CH3]; 351[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-(CH2)7-COOCH3]
|UV Spectra=(Me-ester; after reduction; in etoh)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]], cis, cis, trans isomer: <FONT FACE="Symbol">l</FONT>max=236nm, cis, trans, trans isomer: <FONT FACE="Symbol">l</FONT>max=232nm
|UV Spectra=(Me-ester; after reduction; in etoh)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]], cis, cis, trans isomer: <FONT FACE="Symbol">l</FONT>max=236nm, cis, trans, trans isomer: <FONT FACE="Symbol">l</FONT>max=232nm
|IR Spectra=(Me-ester; after reduction)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]], cis, cis, trans isomer: 989-983 and 951-945cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; cis, trans, trans isomer: 991-983cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, (Me-ester)[[Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84|{{RelationTable/GetFirstAuthor|Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84}}]], OOH group: 3400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>
|IR Spectra=(Me-ester; after reduction)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]], cis, cis, trans isomer: 989-983 and 951-945cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; cis, trans, trans isomer: 991-983cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, (Me-ester)[[Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84|{{RelationTable/GetFirstAuthor|Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84}}]], OOH group: 3400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>
}}
}}

Revision as of 00:02, 20 December 2008


Upper classes: LB LBF



16-Hydroperoxy-9,12,14-Octadecatrienoic Acid
LBF18304HP01.png
Structural Information
16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-Octadecatrienoate
  • 16-Hydroperoxy-9,12,14-Octadecatrienoic Acid
  • 16-Hydroperoxy-9,12,14-Octadecatrienoate
Formula C18H30O4
Exact Mass 310.21440944799997
Average Mass 310.4284
SMILES CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O
Physicochemical Information
Spectral Information
Mass Spectra EI-MS(Me-ester; after reduction and hydrogenation) Chan_HWS Frankel_EN et al.: m/e=285[O=CH(CH2)14C(=OH)OCH3]; 256[CH2(CH2)13C(=OH)OCH3]; 253[O=CH(CH2)14C=O], GC-EI-MS(Me-ester; after reduction,tms) Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 351[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-(CH2)7-COOCH3]
UV Spectra (Me-ester; after reduction; in etoh) Chan_HWS et al., cis, cis, trans isomer: lmax=236nm, cis, trans, trans isomer: lmax=232nm
IR Spectra (Me-ester; after reduction) Chan_HWS et al. Frankel_EN et al., cis, cis, trans isomer: 989-983 and 951-945cm-1; cis, trans, trans isomer: 991-983cm-1, (Me-ester) ToyodaIet al., OOH group: 3400cm-1
NMR Spectra
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18304HP01 See above. Chan_HWS 1977
n.a. LBF18304HP01 See above. Chan_HWS et al. 1982
n.a. LBF18304HP01 See above. Chan_HWS et al. 1977
n.a. LBF18304HP01 See above. Frankel_EN 1980
n.a. LBF18304HP01 See above. Frankel_EN 1983
n.a. LBF18304HP01 See above. Frankel_EN 1984
n.a. LBF18304HP01 See above. Frankel_EN et al. 1977
n.a. LBF18304HP01 See above. Fujimoto_K 1986
n.a. LBF18304HP01 See above. Fujimoto_K et al. 1984
n.a. LBF18304HP01 See above. Logani_MK et al. 1980
n.a. LBF18304HP01 See above. Sevanian_A et al. 1985
n.a. LBF18304HP01 See above. Toyoda_I et al. 1982