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| Ligand ID | 5TJ |
| InChI | InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)5(16-18(11,12)13)3(8)6(9)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | MQAJXHKPMARBQJ-UKFBFLRUSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[S](O)(=O)=O)[C@@H]1OSO | | OpenEye OEToolkits 2.0.4 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O | | CACTVS 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1OSO | | OpenEye OEToolkits 2.0.4 | C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OSO)O |
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| Formula | C6 H12 O10 S2 |
| Name | [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate;
[(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000584905281
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| PDB chain | 5ebz Chain T Residue 2
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[View ligand structure]
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