HHS
Summary
| Name: | 6-CARBOXYPTERIN |
| Synonyms: | 2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid |
| Formula: | C7 H5 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 207.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-amino-4-oxo-3H-pteridine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nc2C(=O)NC(=Nc2nc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2ncc(nc2C(=O)N1)C(O)=O |
| SMILES | CACTVS | 3.341 | NC1=Nc2ncc(nc2C(=O)N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13) |
| InChIKey | InChI | 1.03 | QABAUCFGPWONOG-UHFFFAOYSA-N |
