|
| Ligand ID | GU4 |
| InChI | InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | SPIXVQOXHJQNTH-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O | | ACDLabs 12.01 | OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O | | OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O | | CACTVS 3.385 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O | | CACTVS 3.385 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O |
|
| Formula | C6 H12 O18 S4 |
| Name | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose;
2,3,4,6-tetra-O-sulfonato-alpha-D-glucose;
2,3,4,6-tetra-O-sulfonato-D-glucose;
2,3,4,6-tetra-O-sulfonato-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058632064
|
| PDB chain | 3k6b Chain A Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
