BMMCTZ--k009
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | ? |
| KEGG | C02892 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCTZ--k009.mol |
| Thiamin acetic acid | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Oxidized thiamine |
| 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
