NOP
Summary
| Name: | PYRIDOXAL-5'-PHOSPHATE-N-OXIDE |
| Formula: | C8 H10 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 263.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | (5-hydroxy-4-methanoyl-6-methyl-1-oxido-pyridin-1-ium-3-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-] |
| SMILES | CACTVS | 3.341 | Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | BBWRYPTUKZTWFD-UHFFFAOYSA-N |
