MPL
Summary
| Name: | N-METHYL-PYRIDOXAL-5'-PHOSPHATE |
| Formula: | C9 H13 N O6 P |
| Formal charge: | 1 |
| Formula weight: | 262.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium |
| OpenEye OEToolkits | 1.5.0 | (5-hydroxy-4-methanoyl-1,6-dimethyl-pyridin-1-ium-3-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1C |
| SMILES | CACTVS | 3.341 | Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1 |
| InChIKey | InChI | 1.03 | CBNMAKRKGWDQHB-UHFFFAOYSA-O |
