N1L
Summary
| Name: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid |
| Synonyms: | 2-amino-2-deoxy-beta-D-glucuronic acid 2-amino-2-deoxy-D-glucuronic acid; 2-amino-2-deoxy-glucuronic acid |
| Formula: | C6 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 193.155 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-2-deoxy-beta-D-glucopyranuronic acid |
| OpenEye OEToolkits | 1.9.2 | (2S,3S,4R,5R,6R)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
| PDB-CARE | 1.0 | b-D-GlcpAN |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1OC(O)C(N)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | CRIPFXSBMSGPKB-LVBGKUAWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1(C(C(C(OC1O)C(=O)O)O)O)N |
