BMMCAS--p009
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 : BMMCAS assembled 複合環 (15 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 4958-19-4 |
| KEGG | C02517 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCAS--p009.mol |
| 3-Oxohexobarbital | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5-Cyclohexen-1-yl- 1,5-dimethyl-3-oxo- 1,3-diazinan-3-ium-2,4,6-trione |
| Common Name |
|
| Symbol | |
| Formula | C12H15N2O4 |
| Exact Mass | 251.1031 |
| Average Mass | 251.2585 |
| SMILES | C(C2)CC=C(C2)C(C)(C(=O)1)C(=O)[N+1](=O)C(=O)N(C)1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
