GC4
Summary
| Name: | 4-deoxy-beta-D-glucopyranuronic acid |
| Synonyms: | 4-DEOXY-D-GLUCURONIC ACID 4-deoxy-beta-D-glucuronic acid; 4-deoxy-glucuronic acid |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-deoxy-beta-D-xylo-hexopyranuronic acid |
| OpenEye OEToolkits | 1.5.0 | (4S,5R,6R)-4,5,6-trihydroxyoxane-2-carboxylic acid |
| PDB-CARE | 1.0 | b-D-4-deoxy-GlcpA |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1OC(O)C(O)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(OC1C(=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | OGDYCNQXUUBOMI-RFPGKLGKSA-N |
