BM7
Summary
| Name: | 2-acetamido-2-deoxy-beta-D-mannopyranose |
| Synonyms: | N-acetyl-beta-D-mannosamine 2-acetamido-2-deoxy-beta-D-mannose; 2-acetamido-2-deoxy-D-mannose; 2-acetamido-2-deoxy-mannose; 2-(acetylamino)-2-deoxy-beta-D-mannopyranose |
| Formula: | C8 H15 N O6 |
| Formal charge: | 0 |
| Formula weight: | 221.208 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-beta-D-mannopyranose |
| OpenEye OEToolkits | 1.9.2 | N-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DManpNAcb |
| GMML | 1.0 | N-acetyl-b-D-mannopyranosamine |
| PDB-CARE | 1.0 | b-D-ManpNAc |
| GMML | 1.0 | ManNAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(OC(C(C(C1NC(=O)C)O)O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | OVRNDRQMDRJTHS-OZRXBMAMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C(C(OC1O)CO)O)O |
