BDP
Summary
| Name: | beta-D-glucopyranuronic acid |
| Synonyms: | beta-D-glucuronic acid D-glucuronic acid; glucuronic acid |
| Formula: | C6 H10 O7 |
| Formal charge: | 0 |
| Formula weight: | 194.139 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-D-glucopyranuronic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| GMML | 1.0 | DGlcpAb |
| GMML | 1.0 | b-D-glucopyranuronic acid |
| PDB-CARE | 1.0 | b-D-GlcpA |
| GMML | 1.0 | GlcA |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1OC(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1(C(C(OC(C1O)O)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | AEMOLEFTQBMNLQ-QIUUJYRFSA-N |
