5SE
Summary
| Name: | 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) |
| Formula: | C10 H16 N3 O7 P Se |
| Formal charge: | 0 |
| Formula weight: | 400.184 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-(4-azanyl-5-methylselanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C([Se]C)=C1)CC2O |
| SMILES_CANONICAL | CACTVS | 3.352 | C[Se]C1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES | CACTVS | 3.352 | C[Se]C1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C[Se]C1=CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N3O7PSe/c1-22-7-3-13(10(15)12-9(7)11)8-2-5(14)6(20-8)4-19-21(16,17)18/h3,5-6,8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | NLUQHLNACKOXLS-SHYZEUOFSA-N |
