LBF20306HO06
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8082 | |LipidBank=DFA8082 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8082 |
| LipidMaps | LMFA03060037 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20306HO06.mol |
| |
| Structural Information | |
| Systematic Name | 11-Hydroperoxy-5,8,12,14-Eicosatetraenoic Acid/11-Hydroperoxy-5,8,12,14-Eicosatetraenoate |
| Common Name | |
| Symbol | |
| Formula | C20H32O4 |
| Exact Mass | 336.23005951199997 |
| Average Mass | 336.46567999999996 |
| SMILES | C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(Me-ester; after reduction and TMS)<<8080/8098/8116>>, GC-EI-MS(Me-ester; after reduction and TBDMS)(114), GC-EI-MS(Me-ester; after reduction, hydrogenation and TMS)<<8080/8098/8099/8105/8120>>, GC-EI-MS(Me-ester; after reduction, hydrogenation and TBDMS) |
| UV Spectra | UV<<8099>> conjugated diene: lmax=235nm, UV(Me-ester)<<8098>> conjugated diene: lmax=232.5nm, UV(Me-ester; after reduction)<<8105>> conjugated trans, cis diene:lmax=236nm, conjugated trans, trans diene: lmax=232.5 |
| IR Spectra | IR<<8099>>: conjugated trans, cis diene: 985, 950cm-1, OOH group: 3400cm-1, IR(Me-ester; after reduction)<<8105>>conjugated trans, cis diene: 985, 950cm-1, conjugated trans, trans diene: 989cm-1 |
| NMR Spectra | |
| Chromatograms | |
