GCS
Summary
| Name: | 2-amino-2-deoxy-beta-D-glucopyranose |
| Synonyms: | beta-D-glucosamine 2-amino-2-deoxy-beta-D-glucose; 2-amino-2-deoxy-D-glucose; 2-amino-2-deoxy-glucose; D-GLUCOSAMINE |
| Formula: | C6 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 179.171 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| GMML | 1.0 | DGlcpNb |
| GMML | 1.0 | b-D-glucopyranosamine |
| PDB-CARE | 1.0 | b-D-GlcpN |
| GMML | 1.0 | GlcN |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(O)C1N)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)N)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | MSWZFWKMSRAUBD-QZABAPFNSA-N |
