LBF20406LT02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR3101 | |LipidBank=XPR3101 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | XPR3101 |
| LipidMaps | LMFA03020001 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20406LT02.mol |
| LEUKOTRIENE B4 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5 (S) ,12 (R) -Dihydroxyeicosa-6 (Z) ,8 (E) ,10 (E) ,14 (Z) -tetraenoic acid |
| Common Name |
|
| Symbol | |
| Formula | C20H32O4 |
| Exact Mass | 336.23005951199997 |
| Average Mass | 336.46567999999996 |
| SMILES | C(CC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O)CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | METHANOL <<1021>> |
| Spectral Information | |
| Mass Spectra | m/e 336, 319, 301 <<1023>> |
| UV Spectra | METHANOL : 260(e 38,000), 270.5(e 50,000), 281(e 39,000)nm <<1021>> |
| IR Spectra | |
| NMR Spectra | 1H-NMR(250MHz, D2O) : d 6.45(m, 1H, 8-CH), 6.15(m, 2H, 9,10-CH), 6.0(m, 1H, 7-CH), 5.65(m, 1H, 11-CH), 5.40(m, 1H, 15-CH), 5.25(m, 2H, 6,14-CH), 4.60(5-CH), 4.05(m, 1H, 12-CH), 2.15(m, 2H, 13-CH), 2.00(m, 1H, 2-CH), 1.85(m, 2H, 16-CH), 1.35-1.60(m, 4H, 3,4-CH), 1.00-1.25(m, 6H, 17,18,19-CH), 0.70(m, 3H, 20-CH) <<1022>> |
| Chromatograms | |
