BMCCPUXAg002
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 : BMCCPUXA キサンチン (24 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 958734-83-3 |
| KEGG | C06435 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMCCPUXAg002.mol |
| 5'-Butyrylphosphoinosine | |
|---|---|
| |
| Structural Information | |
| Systematic Name | [ [(2R,3S,4R,5R) -3,4-Dihydroxy-5- (6-oxo-3H-purin-9-yl) oxolan-2-yl] methoxy-hydroxyphosphoryl] butanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C14H19N4O9P |
| Exact Mass | 418.0889 |
| Average Mass | 418.2959 |
| SMILES | CCCC(=O)OP(O)(=O)OC[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
