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BioLiP

PDB CCD ID: POG
Number of entries in BioLiP: 22
Chemical formula: C21 H44 O8
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[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 3.341C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
OpenEye OEToolkits 1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
ACDLabs 10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
CACTVS 3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
Name:(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
POLYPROPYLENE GLYCOL;
HEPTAPROPYLENE GLYCOL
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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