BMMCTZ--e003
From Metabolomics.JP
| 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 | 882004-57-1 |
| KEGG | C15974 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCTZ--e003.mol |
| 2- (3-Methyl-butanoyl) -thiamine diphosphate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2- [3- [(4-Amino-2-methylpyrimidin-5-yl) methyl] -2- (1-hydroxy-3-methylbutyl) -4-methyl-1,3-thiazol-3-ium-5-yl] ethyl phosphono hydrogen |
| Common Name |
|
| Symbol | |
| Formula | C17H29N4O8P2S |
| Exact Mass | 511.1181 |
| Average Mass | 511.4478 |
| SMILES | CC(C)CC(O)c(s1)[n+1](Cc(c2)c(N)nc(C)n2)c(C)c(CCOP( |
| 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
- 4-Methyl-2-oxo-pentanoic acid ⇔ this
- this ⇔ S- (8-Amino-8-oxo-3-sulfanyloctyl) 3-methylbutanethioic acid
- TPP ⇔ this
