NBG
Summary
| Name: | N-acetyl-beta-D-glucopyranosylamine |
| Synonyms: | 1-N-ACETYL-BETA-D-GLUCOSAMINE N-acetyl-beta-D-glucosylamine; N-acetyl-D-glucosylamine; N-acetyl-glucosylamine |
| Formula: | C8 H15 N O6 |
| Formal charge: | 0 |
| Formula weight: | 221.208 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-acetyl-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanamide |
| PDB-CARE | 1.0 | b-D-Glcp1NAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IBONACLSSOLHFU-JAJWTYFOSA-N |
