BMCCPUADf011
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 : BMCC Conjugated cycle 共役環 : BMCCPU purine ring プリン環 : BMCCPUAD アデニン(アデニン、ヌクレオシド) (16 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 56133-34-7 |
| KEGG | C04425 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMCCPUADf011.mol |
| S-Adenosyl-4-methylthio-2-oxobutanoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2S,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methyl- (4-hydroxy-3,4-dioxobutyl) -methylsulfanium |
| Common Name |
|
| Symbol | |
| Formula | C15H20N5O6S |
| Exact Mass | 398.1134 |
| Average Mass | 398.4154 |
| SMILES | OC(=O)C(=O)CCS(C)C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@ |
| 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
