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| Ligand ID | GU0 |
| InChI | InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/p-3/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | GRHWGVDHRAZFMQ-VFUOTHLCSA-K |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | C(C1C(C(C(C(O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] | | CACTVS 3.352 | O[CH]1O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH]1O[S]([O-])(=O)=O | | CACTVS 3.352 | O[C@@H]1O[C@H](CO[S]([O-])(=O)=O)[C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H]1O[S]([O-])(=O)=O | | OpenEye OEToolkits 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] | | ACDLabs 11.02 | [O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1O |
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| Formula | C6 H9 O15 S3 |
| Name | 2,3,6-tri-O-sulfonato-beta-D-glucopyranose;
2,3,6-tri-O-sulfonato-beta-D-glucose;
2,3,6-tri-O-sulfonato-D-glucose;
2,3,6-tri-O-sulfonato-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2b5t Chain G Residue 14
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