REJ
Summary
| Name: | Tricarbonyl (L-serine) rhenium(I) |
| Formula: | C6 H6 N O6 Re |
| Formal charge: | 1 |
| Formula weight: | 374.322 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.02 | InChI=1S/C3H7NO3.3CO.Re/c4-2(1-5)3(6)7;3*1-2;/h2,5H,1,4H2,(H,6,7);;;;/q;;;;+2/p-1/t2-;;;;/m0..../s1 |
| InChIKey | InChI | 1.02 | QKENEJKDFPJRFD-AIDJSRAFSA-M |
| SMILES_CANONICAL | CACTVS | 3.370 | N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1CO |
| SMILES | CACTVS | 3.370 | N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O |
