BioLiP

PDB

BioLiP

PDB CCD ID:

P03

Number of entries in BioLiP:

Chemical formula:

C10 H22 O5

InChI:

InChI=1S/C10H22O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h11-12H,1-10H2

InChIKey:

GNAZJSIZGCDIQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	OCCOCCCOCCCOCCO
OpenEye OEToolkits 1.7.0	C(COCCCOCCO)COCCO

Name:

2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol

ZINC:

ZINC000058633634

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).