GIM
Summary
| Name: | GLUCOIMIDAZOLE |
| Synonyms: | (5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| Formula: | C8 H13 N2 O4 |
| Formal charge: | 1 |
| Formula weight: | 201.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
| OpenEye OEToolkits | 1.5.0 | (5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[2,1-f]pyridin-4-ium-6,7,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC2[n+]1ccnc1C(O)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]12 |
| SMILES | CACTVS | 3.341 | OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | RZRDQZQPTISYKY-MVIOUDGNSA-O |
