LBF20406HO21: Difference between revisions

Newer edit →
Editor (talk | contribs)
editors
12,508 edits
No edit summary
 
Editor (talk | contribs)
editors
12,508 edits
No edit summary
Line 5: Line 5:
|LipidMaps=-
|LipidMaps=-
|SysName=12 (S) -Hydoxy-5,8,10,14- (Z,E,Z,Z) -eicosatetraenoic acid
|SysName=12 (S) -Hydoxy-5,8,10,14- (Z,E,Z,Z) -eicosatetraenoic acid
|Reflactive=METHYL ESTER ; [<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=+1.50°(C=0.2, CHLOROFORM) <<1082>>, [<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>22</sup>=+13°(C=1.5, ACETONE) <<1083>>
|Reflactive=METHYL ESTER ; [<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>25</sup>=+1.50°(C=0.2, CHLOROFORM) [[Reference:Corey_EJ:Niwa_H:Knolle_J:,J. Am. Chem. Soc.,1978,100,1942|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Niwa_H:Knolle_J:,J. Am. Chem. Soc.,1978,100,1942}}]], [<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>22</sup>=+13°(C=1.5, ACETONE) [[Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789|{{RelationTable/GetFirstAuthor|Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789}}]]
|Solubility=DIETHYL ETHER , ACETONE , BENZENE <<1083>>
|Solubility=DIETHYL ETHER , ACETONE , BENZENE [[Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789|{{RelationTable/GetFirstAuthor|Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789}}]]
|Mass Spectra=METHYL ESTER ; m/e 316, 303, 223, 191, 141, 107(base peak) <<1084>>
|Mass Spectra=METHYL ESTER ; m/e 316, 303, 223, 191, 141, 107(base peak) [[Reference:Just_G:Wang_ZY:,J. Org. Chem.,1986,51,4796|{{RelationTable/GetFirstAuthor|Reference:Just_G:Wang_ZY:,J. Org. Chem.,1986,51,4796}}]]
|UV Spectra=METHYL ESTER ; <FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>M</FONT></SUP><SUP><FONT SIZE=-1>e</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 234nm <<1084>>METHYL ESTER ; <FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>E</FONT></SUP><SUP><FONT SIZE=-1>t</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 237nm(<FONT FACE="Symbol">e</FONT> 30500) <<1081>>
|UV Spectra=METHYL ESTER ; <FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>M</FONT></SUP><SUP><FONT SIZE=-1>e</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 234nm [[Reference:Just_G:Wang_ZY:,J. Org. Chem.,1986,51,4796|{{RelationTable/GetFirstAuthor|Reference:Just_G:Wang_ZY:,J. Org. Chem.,1986,51,4796}}]]METHYL ESTER ; <FONT FACE="Symbol">l</FONT> <SUP><FONT SIZE=-1>E</FONT></SUP><SUP><FONT SIZE=-1>t</FONT></SUP><SUP><FONT SIZE=-1>O</FONT></SUP><SUP><FONT SIZE=-1>H</FONT></SUP><SUB><FONT SIZE=-1>m</FONT></SUB><SUB><FONT SIZE=-1>a</FONT></SUB><SUB><FONT SIZE=-1>x</FONT></SUB> = 237nm(<FONT FACE="Symbol">e</FONT> 30500) [[Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,Proc. Natl. Acad. Sci. U. S. A.,1974,71,3400}}]]
|IR Spectra=NEAT : <FONT FACE="Symbol">n</FONT> 3480b, 1710, 1460, 1400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> <<1083>>
|IR Spectra=NEAT : <FONT FACE="Symbol">n</FONT> 3480b, 1710, 1460, 1400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789|{{RelationTable/GetFirstAuthor|Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(250MHz, ACETONE-D<SUB><FONT SIZE=-1>6</FONT></SUB>) ; <FONT FACE="Symbol">d</FONT> 6.58(dd, J=15.3, 11.0Hz, 1H, 10-CH), 5.97(t, J=11.0Hz, 1H, 9-CH), 5.72(dd, J=15.3, 6.2 Hz, 1H, 11-CH), 5.29(m, 5H, 5,6,8,14,15-CH), 4.16(q, J=6.3Hz, 1H, 12-CH), 2.94(t, J=6.1Hz, 2H, 7-CH), 2.27(t,J= 7.4Hz, 2H,2-CH), 2.22(m, 2H, 13-CH), 1.66 and 2.14(m, 2H, 4-and 16-CH), 0.87(t, J=6.3Hz, 3H, 20-CH) <<1083>>. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>NMR(C<SUB><FONT SIZE=-1>6</FONT></SUB>D<SUB><FONT SIZE=-1>6</FONT></SUB>) : 174.3, 137.77, 132.02, 129.98, 129.62, 128.88, 128.69, 125.96, 124.44 <<1083>>
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(250MHz, ACETONE-D<SUB><FONT SIZE=-1>6</FONT></SUB>) ; <FONT FACE="Symbol">d</FONT> 6.58(dd, J=15.3, 11.0Hz, 1H, 10-CH), 5.97(t, J=11.0Hz, 1H, 9-CH), 5.72(dd, J=15.3, 6.2 Hz, 1H, 11-CH), 5.29(m, 5H, 5,6,8,14,15-CH), 4.16(q, J=6.3Hz, 1H, 12-CH), 2.94(t, J=6.1Hz, 2H, 7-CH), 2.27(t,J= 7.4Hz, 2H,2-CH), 2.22(m, 2H, 13-CH), 1.66 and 2.14(m, 2H, 4-and 16-CH), 0.87(t, J=6.3Hz, 3H, 20-CH) [[Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789|{{RelationTable/GetFirstAuthor|Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789}}]]. <SUP><FONT SIZE=-1>1</FONT></SUP><SUP><FONT SIZE=-1>3</FONT></SUP>NMR(C<SUB><FONT SIZE=-1>6</FONT></SUB>D<SUB><FONT SIZE=-1>6</FONT></SUB>) : 174.3, 137.77, 132.02, 129.98, 129.62, 128.88, 128.69, 125.96, 124.44 [[Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789|{{RelationTable/GetFirstAuthor|Reference:Leblanc_Y:Fitzsimmons_BJ:Adams_J:Perez_F:Rokach_J:,J. Org. Chem.,1986,51,789}}]]
}}
}}

Revision as of 09:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
LipidBank XPR6102
LipidMaps -
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF20406HO21
GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
12 (S) -Hydoxy-5,8,10,14- (Z,E,Z,Z) -eicosatetraenoic acid
Formula C20H32O3
Exact Mass 320.23514489
Average Mass 320.46628
SMILES C(CC=CC[C@@H](C=CC=CCC=CCCCC(O)=O)O)CCC
Physicochemical Information
DIETHYL ETHER , ACETONE , BENZENE LeblancYet al.
Spectral Information
Mass Spectra METHYL ESTER ; m/e 316, 303, 223, 191, 141, 107(base peak) JustGet al.
UV Spectra METHYL ESTER ; l MeOHmax = 234nm JustGet al.METHYL ESTER ; l EtOHmax = 237nm(e 30500) HambergMet al.
IR Spectra NEAT : n 3480b, 1710, 1460, 1400cm-1 LeblancYet al.
NMR Spectra 1H-NMR(250MHz, ACETONE-D6) ; d 6.58(dd, J=15.3, 11.0Hz, 1H, 10-CH), 5.97(t, J=11.0Hz, 1H, 9-CH), 5.72(dd, J=15.3, 6.2 Hz, 1H, 11-CH), 5.29(m, 5H, 5,6,8,14,15-CH), 4.16(q, J=6.3Hz, 1H, 12-CH), 2.94(t, J=6.1Hz, 2H, 7-CH), 2.27(t,J= 7.4Hz, 2H,2-CH), 2.22(m, 2H, 13-CH), 1.66 and 2.14(m, 2H, 4-and 16-CH), 0.87(t, J=6.3Hz, 3H, 20-CH) LeblancYet al.. 13NMR(C6D6) : 174.3, 137.77, 132.02, 129.98, 129.62, 128.88, 128.69, 125.96, 124.44 LeblancYet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20406HO21 See above. Corey_EJ et al. 1978
n.a. LBF20406HO21 See above. Hamberg_M et al. 1974
n.a. LBF20406HO21 See above. Just_G et al. 1986
n.a. LBF20406HO21 See above. Leblanc_Y et al. 1986
n.a. LBF20406HO21 See above. Yamamoto_S et al. 1997
n.a. LBF20406HO21 See above. Yoshimoto_T et al. 1995
Retrieved from "http://lipidbank.jp/mediawiki/index.php?title=LBF20406HO21&oldid=55508"