LXB
Summary
| Name: | 2-acetamido-2-deoxy-beta-D-gulopyranose |
| Synonyms: | N-acetyl-beta-D-gulosamine 2-acetamido-2-deoxy-beta-D-gulose; 2-acetamido-2-deoxy-D-gulose; 2-acetamido-2-deoxy-gulose; 2-(acetylamino)-2-deoxy-beta-D-gulopyranose |
| 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 | 10.04 | 2-(acetylamino)-2-deoxy-beta-D-gulopyranose |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DGulpNAcb |
| GMML | 1.0 | N-acetyl-b-D-gulopyranosamine |
| PDB-CARE | 1.0 | b-D-GulpNAc |
| GMML | 1.0 | GulNAc |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1O)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1O)CO)O)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-QQGCVABSSA-N |
