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| Ligand ID | U9A |
| InChI | InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1 |
| InChIKey | SENPUEYGUGAZCY-WHDMSYDLSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | [C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O | | CACTVS 3.385 | O[CH]1O[CH](O[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O | | CACTVS 3.385 | O[C@@H]1O[C@H](O[S](O)(=O)=O)[C@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O | | ACDLabs 12.01 | C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1(C(C(C(OC1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O |
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| Formula | C5 H11 N O11 S2 |
| Name | [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6odf Chain N Residue 1
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