LBF20407HO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8088 | |LipidBank=DFA8088 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8088 |
| LipidMaps | LMFA03060043 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20407HO01.mol |
| |
| Structural Information | |
| Systematic Name | 5,15-Dihydroperoxy-6,8,11,13-Eicosatetraenoic Acid/5,15-Dihydroperoxy-6,8,11,13-Eicosatetraenoate |
| Common Name | |
| Symbol | |
| Formula | C20H32O6 |
| Exact Mass | 368.219888756 |
| Average Mass | 368.46448 |
| SMILES | C(CCC(OO)C=CC=CCC=CC=CC(OO)CCCC(O)=O)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(Me-ester;after reduction, hydrogenation and TMS-derivatization)<<8097/8098>>: m/e=487[M-CH3]; 431[M-(CH2)4CH3]; 401[M-(CH2)3COOCH3]; 341[431-H OTMS]; 311[401-HOTMS]; 203[SMTO=CH(CH2)3COOCH3]; 173[SMTO=CH(CH2)4CH3] |
| UV Spectra | UV(Me-ester)<<8098>> conjugated diene: 236nm |
| IR Spectra | IR(Me-ester)<<8098>> OOH group: 3400cm-1 |
| NMR Spectra | 1H-NMR(Me-ester)<<8098>> OOH: 8.3ppm |
| Chromatograms | |
