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| Ligand ID | 69I |
| InChI | InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1 |
| InChIKey | OTRMZOXLRJYKRS-VOQCIKJUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC[C@H]1O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)COP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O | | OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O |
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| Formula | C7 H17 O15 P3 |
| Name | beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate;
[(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ppi Chain B Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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