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Ligand ID | YYJ |
InChI | InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1 |
InChIKey | UCVVRDOLNRDLDM-ARQDHWQXSA-N |
SMILES | Software | SMILES |
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CACTVS 3.370 | O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O | OpenEye OEToolkits 1.7.6 | C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O | ACDLabs 12.01 | O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O | CACTVS 3.370 | O[C@]1(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O |
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Formula | C6 H12 O18 S4 |
Name | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 1afc Chain K Residue 2
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