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| Ligand ID | B16 |
| InChI | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | RWHOZGRAXYWRNX-DVKNGEFBSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O | | OpenEye OEToolkits 1.7.6 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O | | CACTVS 3.370 | O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)(O)=O)[CH]1O | | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O | | CACTVS 3.370 | O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@@H](O[P](O)(O)=O)[C@@H]1O |
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| Formula | C6 H14 O12 P2 |
| Name | 1,6-di-O-phosphono-beta-D-glucopyranose;
1,6-di-O-phosphono-beta-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000012502703
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| PDB chain | 2i55 Chain B Residue 249
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