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| Ligand ID | PDX |
| InChI | InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | ORUZACWROKWTRH-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O | | CACTVS 3.341 | OC[C@H]1O[C@H](O)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O | | ACDLabs 10.04 | O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO |
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| Formula | C6 H12 O12 S2 |
| Name | 2,3-di-O-sulfo-alpha-D-glucopyranose;
2,3-di-O-sulfo-alpha-D-glucose;
2,3-di-O-sulfo-D-glucose;
2,3-di-O-sulfo-glucose |
| ChEMBL | |
| DrugBank | DB02879 |
| ZINC | ZINC000031976877
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| PDB chain | 1o75 Chain C Residue 1
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