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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 |
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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 | 8hjp Chain A Residue 501
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