|
| Ligand ID | 75I |
| InChI | InChI=1S/C7H17O15P3/c8-1-2-3(9)6(21-24(14,15)16)4(10)7(22-25(17,18)19)5(2)20-23(11,12)13/h2-10H,1H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3-,4-,5+,6+,7+/m0/s1 |
| InChIKey | QCSGZYRCELECJV-YQHQLQMSSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@H]1[C@H](O)[C@@H](O[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(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)O | | OpenEye OEToolkits 2.0.7 | C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O |
|
| Formula | C7 H17 O15 P3 |
| Name | DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate;
[(1R,2S,3S,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8ppd Chain A Residue 505
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
