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| Ligand ID | 5AI |
| InChI | InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | IXJMLEYTDGNHLU-QZABAPFNSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O | | CACTVS 3.385 | OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[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)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)O |
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| Formula | C6 H15 O15 P3 |
| Name | alpha-D-glucopyranosyl 1,3,4-trisphosphate;
[(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8pph Chain A Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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