MAG
Summary
| Name: | methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| Synonyms: | BETA-METHYL-N-ACETYL-D-GLUCOSAMINE methyl 2-acetamido-2-deoxy-beta-D-glucoside; methyl 2-acetamido-2-deoxy-D-glucoside; methyl 2-acetamido-2-deoxy-glucoside |
| Formula: | C9 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 235.234 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide |
| GMML | 1.0 | DGlcpNAc[1Me]b |
| GMML | 1.0 | 1-methyl-N-acetyl-b-D-glucopyranose |
| PDB-CARE | 1.0 | a-methyl-N-acetyl-D-glucosamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1OC)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1OC)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZEVOCXOZYFLVKN-JGKVKWKGSA-N |
