LBF16304SC01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA0175 | |LipidBank=DFA0175 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA0175 |
| LipidMaps | LMFA01030136 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF16304SC01.mol |
| |
| Structural Information | |
| Systematic Name | 6, 9, 12-Hexadecatrienoic acid |
| Common Name | |
| Symbol | |
| Formula | C16H26O2 |
| Exact Mass | 250.19328007599998 |
| Average Mass | 250.37643999999997 |
| SMILES | CCCC=CCC=CCC=CCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | soluble in alcohol and ether.<<0295>><<0464>><<0465>> |
| Spectral Information | |
| Mass Spectra | HR-EI-MS (METHYL ESTER) : M/Z; 264.20910(M) 001) EI-MS (PYRROLIDIDE) : M/Z; 154, 166, 194, 206, 234, 246<<6001>>. |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | CMR (METHYL ESTER) : C12, 127.797; C13, 130.127; C14, 29.308; C15, 22.753; C16: 13.760ppm <<6001>> PMR(METHYL ESTER): CH3-C-C-C=C- (TERMINAL METHYL GROUP) , 0.83-0.98ppm (TRIPLETS) <<6001>> |
| Chromatograms | |
