BMMCTZ--k009
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName= | + | |SysName=2- [3- [(4-Amino-2-methylpyrimidin-5-yl) methyl] -4-methyl-1,3-thiazol-3-ium-5-yl] acetic acid |
| − | |Common Name=&&Thiamin acetic acid&&Thiamine acetic acid&& | + | |Common Name=&&Thiamin acetic acid&&Thiamine acetic acid&&Oxidized thiamine&& |
| − | |CAS= | + | |CAS=22907-07-9 |
|KEGG=C02892 | |KEGG=C02892 | ||
}} | }} | ||
Latest revision as of 18:22, 17 June 2010
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCTZ thiazole ring チアゾール環 (10 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 22907-07-9 |
| KEGG | C02892 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCTZ--k009.mol |
| Thiamin acetic acid | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2- [3- [(4-Amino-2-methylpyrimidin-5-yl) methyl] -4-methyl-1,3-thiazol-3-ium-5-yl] acetic acid |
| Common Name |
|
| Symbol | |
| Formula | C12H14N4O2S |
| Exact Mass | 278.0837 |
| Average Mass | 278.3313 |
| SMILES | OC(=O)Cc(s2)c(C)[n+1]([c+1]2)Cc(c1)c(N)nc(C)n1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
