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| Ligand ID | POG |
| InChI | InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1 |
| InChIKey | OWRNLGZKEZSHGO-QAWAPDBNSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O | | CACTVS 3.341 | C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO | | OpenEye OEToolkits 1.5.0 | CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O | | ACDLabs 10.04 | O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C | | CACTVS 3.341 | C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO |
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| Formula | C21 H44 O8 |
| Name | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
POLYPROPYLENE GLYCOL;
HEPTAPROPYLENE GLYCOL |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4v12 Chain A Residue 1343
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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