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| Ligand ID | YYB |
| InChI | InChI=1S/C7H14O11S2/c1-15-7-5(18-20(12,13)14)2-16-4(6(7)8)3-17-19(9,10)11/h4-8H,2-3H2,1H3,(H,9,10,11)(H,12,13,14)/t4-,5+,6-,7-/m1/s1 |
| InChIKey | DOMPCHKEFBEVFB-XZBKPIIZSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O | | OpenEye OEToolkits 1.7.6 | COC1C(COC(C1O)COS(=O)(=O)O)OS(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)OCC1OCC(OS(=O)(=O)O)C(OC)C1O | | CACTVS 3.370 | CO[C@H]1[C@H](O)[C@@H](CO[S](O)(=O)=O)OC[C@@H]1O[S](O)(=O)=O | | CACTVS 3.370 | CO[CH]1[CH](O)[CH](CO[S](O)(=O)=O)OC[CH]1O[S](O)(=O)=O |
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| Formula | C7 H14 O11 S2 |
| Name | 1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1sr5 Chain D Residue 1
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