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| Ligand ID | Z9H |
| InChI | InChI=1S/C8H16O12S2/c1-16-5-4(3-18-21(10,11)12)19-8(9)7(6(5)17-2)20-22(13,14)15/h4-9H,3H2,1-2H3,(H,10,11,12)(H,13,14,15)/t4-,5-,6+,7-,8+/m1/s1 |
| InChIKey | KXJTXUUGBKCQJT-CBQIKETKSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](O[S](O)(=O)=O)[CH]1OC | | CACTVS 3.370 | CO[C@@H]1[C@@H](CO[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1OC | | OpenEye OEToolkits 1.7.6 | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1OC | | OpenEye OEToolkits 1.7.6 | COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O)(=O)O |
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| Formula | C8 H16 O12 S2 |
| Name | 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1e03 Chain E Residue 5
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