BioLiP

PDB

BioLiP

PDB CCD ID:

GO9

Number of entries in BioLiP:

Chemical formula:

C13 H28 O8

InChI:

InChI=1S/C13H28O8/c14-1-4-18-7-8-21-12-13(9-17,10-19-5-2-15)11-20-6-3-16/h14-17H,1-12H2

InChIKey:

CLVWRDZKTFFQRY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(COCCOCC(CO)(COCCO)COCCO)O
CACTVS 3.385	OCCOCCOCC(CO)(COCCO)COCCO

Name:

3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol

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).