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| Ligand ID | 661 |
| InChI | InChI=1S/C7H18O18P4/c8-5-3(1-21-26(9,10)11)23-4(2-22-27(12,13)14)6(24-28(15,16)17)7(5)25-29(18,19)20/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey | MPSXELYGZWCBKU-PJEQPVAWSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[C@H]1[C@H](CO[P](O)(O)=O)O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](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)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O | | CACTVS 3.385 | O[CH]1[CH](CO[P](O)(O)=O)O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O |
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| Formula | C7 H18 O18 P4 |
| Name | beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate;
[(2S,3S,4R,5R,6R)-3-oxidanyl-4,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-2-yl]methyl dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ppj Chain B Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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