U97
Summary
| Name: | 2-O-sulfo-beta-L-galactopyranuronic acid |
| Formula: | C6 H10 O10 S |
| Formal charge: | 0 |
| Formula weight: | 274.203 Da |
| Component type: | L-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-O-sulfo-beta-L-galactopyranuronic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R},5~{S},6~{S})-3,4,6-tris(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(=O)O)OC(O)C(C1O)OS(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-BKBMJHBISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [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 | 2.0.7 | C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O |
