LBF20406SF04

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{{Metabolite
 
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|LipidBank=XPR3401
 
|LipidBank=XPR3401

Latest revision as of 09:00, 1 October 2008



Upper classes



LEUKOTRIENE E4
LBF20406SF04.png
Structural Information
Systematic Name 5 (S) -Hydroxy-6 (R) -S-cysteinyleicosa-7 (E) ,9 (E) ,11 (Z) ,14 (Z) -tetraenoic acid
Common Name
  • LEUKOTRIENE E4
Symbol
Formula C23H37NO5S
Exact Mass 439.239243989
Average Mass 439.60962000000006
SMILES OC(=O)CCC[C@@H]([C@@H](C=CC=CC=CCC=CCCCCC)SC[C@H](N)C(O)=O)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index DIMETHYL ESTER ; [a]XD20=+35.2° <<1063>>
Solubility METHANOL <<1063/1028>>
Spectral Information
Mass Spectra
UV Spectra MONO-POTASSIUM SALT;l = 270(e 40000), 280(e 49400), 291nm( e 40000) <<1028>>
IR Spectra
NMR Spectra DIMETHYL ESTER ; 1H-NMR(CDCl3) : d 6.33(dd, J=14.5Hz, 10Hz, 1H, 10CH), 6.0(t, J=10Hz, 1H, 11-CH), 5.62(dd, J=14.4, 9.6Hz, 1H, 7-CH), 5.3(m, J=10,9Hz, 1H, 14-CH), 3.71 and 3.62(2S, 6H, OCH3), 3.65(m, 1H, 5-CH), 3.4(m, 1H, 6-CH), 2.95(t, J=9Hz, 2H, 13-CH), 2.02(m, 2H, 16-CH), 0.86(t, J=6Hz, 3H, 20-CH) <<1063>>
Chromatograms




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