HA5
Summary
| Name: | (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid |
| Formula: | C7 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 184.149 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O4/c10-6-3-1-4(7(11)12)8-2-5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | QOFAMUTZWHXYLI-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1Cc2c(O)noc2CN1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1Cc2c(O)noc2CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C1c2c(onc2O)CN[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | C1c2c(onc2O)CNC1C(=O)O |
