HH2
Summary
Name: | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE |
Synonyms: | [PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE |
Formula: | C7 H9 N5 O8 P2 |
Formal charge: | 0 |
Formula weight: | 353.123 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl trihydrogen diphosphate |
OpenEye OEToolkits | 1.5.0 | (2-amino-4-oxo-3H-pteridin-6-yl)methyl phosphono hydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2ncc(CO[P@@](O)(=O)O[P](O)(O)=O)nc2C(=O)N1 |
SMILES | CACTVS | 3.341 | NC1=Nc2ncc(CO[P](O)(=O)O[P](O)(O)=O)nc2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13) |
InChIKey | InChI | 1.03 | AMDUVUKDRBIVAH-UHFFFAOYSA-N |