A1H1V
Summary
| Name: | 3-O-sulfo-alpha-L-idopyranuronic acid |
| Synonyms: | O3-SULFO-GLUCURONIC ACID 3-O-sulfo-alpha-L-iduronic acid; 3-O-sulfo-L-iduronic acid; 3-O-sulfo-iduronic acid |
| Formula: | C6 H10 O10 S |
| Formal charge: | 0 |
| Formula weight: | 274.203 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1 |
| InChIKey | InChI | 1.06 | DUBHWJMYQMPMAY-ZGFJKJOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1O[C@H]([C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1C(=O)O)O)O)OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1(C(C(C(OC1C(=O)O)O)O)OS(=O)(=O)O)O |
