49S
Summary
| Name: | 2-acetamido-2-deoxy-beta-D-mannopyranuronic acid |
| Synonyms: | 2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid 2-acetamido-2-deoxy-beta-D-mannuronic acid; 2-acetamido-2-deoxy-D-mannuronic acid; 2-acetamido-2-deoxy-mannuronic acid |
| Formula: | C8 H13 N O7 |
| Formal charge: | 0 |
| Formula weight: | 235.191 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid |
| OpenEye OEToolkits | 1.9.2 | (2S,3S,4R,5S,6R)-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1OC(O)C(NC(=O)C)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4+,5-,6-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | KSOXQRPSZKLEOR-YMPULBMMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C(C(OC1O)C(=O)O)O)O |
