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| Ligand ID | GU5 |
| InChI | InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/p-1/t4-,5?,6+,7-,8+/m1/s1 |
| InChIKey | SYRNRUURZIIPLL-IINKRSELSA-M |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CO[CH]1[CH](O)O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH]1OC | | OpenEye OEToolkits 1.5.0 | CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O | | ACDLabs 10.04 | [O-]S(=O)(=O)OCC1OC(O)C(OC)C(OC)C1O | | OpenEye OEToolkits 1.5.0 | COC1C(C(OC(C1OC)O)COS(=O)(=O)[O-])O | | CACTVS 3.341 | CO[C@H]1[C@@H](O)O[C@H](CO[S]([O-])(=O)=O)[C@@H](O)[C@@H]1OC |
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| Formula | C8 H15 O9 S |
| Name | 2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose;
2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose;
2,3-di-O-methyl-6-O-sulfonato-D-glucose;
2,3-di-O-methyl-6-O-sulfonato-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2b5t Chain G Residue 5
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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