BioLiP

PDB

BioLiP

PDB CCD ID:

PGF

Number of entries in BioLiP:

Chemical formula:

C9 H20 O4

InChI:

InChI=1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3

InChIKey:

JRRDISHSXWGFRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCOCCOCCOCCOC
ACDLabs 10.04	O(C)CCOCCOCCOCC

Name:

2,5,8,11-TETRAOXATRIDECANE

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).