LBF18306SC01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA0179 | |LipidBank=DFA0179 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA0179 |
| LipidMaps | LMFA01030140 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18306SC01.mol |
| Calea | |
|---|---|
| |
| Structural Information | |
| Systematic Name | trans-3, cis-9, cis-12-Octadecatrienoic acid |
| Common Name |
|
| Symbol | |
| Formula | C18H30O2 |
| Exact Mass | 278.224580204 |
| Average Mass | 278.4296 |
| SMILES | CCCCCC=CCC=CCCCCC=CCC(O)=O |
| Physicochemical Information | |
| Melting Point | 61-61.5°C |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | soluble in acetone, ethanol, ether, and petroleumether.<<0040>> |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
