PMM
Summary
| Name: | PTERIN-6-YL-METHYL-MONOPHOSPHATE |
| Formula: | C7 H8 N5 O5 P |
| Formal charge: | 0 |
| Formula weight: | 273.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | (2-amino-4-oxo-3H-pteridin-6-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13) |
| InChIKey | InChI | 1.03 | AJXFJEHKGGCFNM-UHFFFAOYSA-N |
