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| Ligand ID | 46I |
| InChI | InChI=1S/C6H16O18P4/c7-3-5(23-27(14,15)16)4(22-26(11,12)13)2(1-20-25(8,9)10)21-6(3)24-28(17,18)19/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | HWPKOYDCMYQLFR-UKFBFLRUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)O[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O | | CACTVS 3.385 | O[C@H]1[C@@H](O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O)O[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
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| Formula | C6 H16 O18 P4 |
| Name | beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate;
[(2S,3R,4R,5R,6R)-3-oxidanyl-2,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ppg Chain A Residue 705
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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