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| Ligand ID | SUS |
| InChI | InChI=1S/C6H13NO14S3/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | VPSCBZXJXYLJOH-UKFBFLRUSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O | | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O | | ACDLabs 12.01 | N(C1C(OC(C(C1OS(O)(=O)=O)O)COS(=O)(O)=O)O)S(=O)(O)=O | | CACTVS 3.385 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1N[S](O)(=O)=O | | CACTVS 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1N[S](O)(=O)=O |
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| Formula | C6 H13 N O14 S3 |
| Name | 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
3,6-di-O-sulfo-N-sulfo-alpha-D-glucosamine;
2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098209427
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| PDB chain | 4x7r Chain C Residue 3
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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