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| Ligand ID | 8EX |
| InChI | InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1 |
| InChIKey | KWDXXNWKTRGMDM-UIAUGNHASA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O | | CACTVS 3.385 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@@H]1O | | OpenEye OEToolkits 2.0.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O | | CACTVS 3.385 | CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O |
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| Formula | C8 H15 N O12 S2 |
| Name | 2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose;
[(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate;
N-acetyl-4-sulfo-6-sulfo-beta-D-galactopyranose;
2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactose;
2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactose;
2-acetamido-2-deoxy-4,6-di-O-sulfo-galactose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000012494419
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| PDB chain | 5xs8 Chain G Residue 1
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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