2K8
Summary
| Name: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid |
| Synonyms: | 6-carboxy-5,6,7,8-tetrahydropterin |
| Formula: | C7 H9 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 211.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2NC1=C(N=C(N)NC1=O)NC2 |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | QSIYONWVWDSRRO-UWTATZPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC2=C(N[C@H](CN2)C(O)=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=NC2=C(N[CH](CN2)C(O)=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(NC2=C(N1)N=C(NC2=O)N)C(=O)O |
