GCW
Summary
| Name: | 4-O-methyl-beta-D-glucopyranuronic acid |
| Synonyms: | 4-O-METHYL-BETA-D-GLUCURONIC ACID 4-O-methyl-D-glucuronic acid; 4-O-methyl-glucuronic acid |
| Formula: | C7 H12 O7 |
| Formal charge: | 0 |
| Formula weight: | 208.166 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-O-methyl-beta-D-glucopyranuronic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-methoxy-oxane-2-carboxylic acid |
| PDB-CARE | 1.0 | b-D-GlcpA4OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1OC(O)C(O)C(O)C1OC |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(OC1C(=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | WGLLPAPKWFDHHV-RLZVPWTLSA-N |
