FA6
Summary
| Name: | 3-HYDROXYIMINO QUINIC ACID |
| Formula: | C7 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 205.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,3R,4R,5E)-1,3,4-trihydroxy-5-(hydroxyimino)cyclohexanecarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1S,3R,4R,5E)-1,3,4-trihydroxy-5-hydroxyimino-cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O\N=C1/C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | ON=C1C[C](O)(C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(=NO)CC1(C(=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | WASIBXJFRXJWAR-GKQOBJDDSA-N |
