IDS
Summary
| Name: | 2-O-sulfo-alpha-L-idopyranuronic acid |
| Synonyms: | O2-SULFO-GLUCURONIC ACID 2-O-sulfo-alpha-L-iduronic acid; 2-O-sulfo-L-iduronic acid; 2-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 |
| ACDLabs | 10.04 | 2-O-sulfo-alpha-L-idopyranuronic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-sulfooxy-oxane-2-carboxylic acid |
| PDB-CARE | 1.0 | a-L-IdopA2SO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(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 | 1.03 | COJBCAMFZDFGFK-VCSGLWQLSA-N |
