LBF20406SF04
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR3401 | |LipidBank=XPR3401 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR3401 |
| LipidMaps | LMFA03020002 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20406SF04.mol |
| LEUKOTRIENE E4 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5 (S) -Hydroxy-6 (R) -S-cysteinyleicosa-7 (E) ,9 (E) ,11 (Z) ,14 (Z) -tetraenoic acid |
| Common Name |
|
| 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]( |
| 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 | |
