BioLiP

PDB

BioLiP

PDB CCD ID:

POG

Number of entries in BioLiP:

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:

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

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, Lydia 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).