BMCCCC--t013
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 : BMCCCC condensed rings その他の縮合環 (30 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 58-85-5 |
| KEGG | C00120 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMCCCC--t013.mol |
| Biotin | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 5- [ (3aR,6S,6aS) -2-oxo-1,3,3a,4,6,6a-hexahydrothieno [3,4-d] imidazol-6-yl] pentanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C10H16N2O3S |
| Exact Mass | 244.0881 |
| Average Mass | 244.3117 |
| SMILES | OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1 |
| 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
