|
| Ligand ID | 4IM |
| InChI | InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6- |
| InChIKey | CIPFCGZLFXVXBG-FAEUDGQSSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | | CACTVS 3.385 | O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O | | OpenEye OEToolkits 2.0.7 | [C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O |
|
| Formula | C6 H16 O18 P4 |
| Name | scyllo-inositol 1,2,3,5-tetrakisphosphate;
[(1R,2S,4R,5S)-2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 8pp9 Chain B Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
