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| Ligand ID | 3IA |
| InChI | InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6+/m0/s1 |
| InChIKey | MMWCIQZXVOZEGG-ADOSBGCESA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | | CACTVS 3.385 | O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | | CACTVS 3.385 | O[C@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O |
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| Formula | C6 H15 O15 P3 |
| Name | L-scyllo-inositol 1,2,4-trisphosphate;
[(1R,2S,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8pp8 Chain B Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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