BioLiP

PDB

BioLiP

PDB CCD ID:

PE8

Number of entries in BioLiP:

Chemical formula:

C16 H34 O9

InChI:

InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2

InChIKey:

GLZWNFNQMJAZGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCOCCO)CCOCCOCCOCCOCCOCCO
CACTVS 3.341	OCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0	C(COCCOCCOCCOCCOCCOCCOCCO)O

Name:

3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL

ZINC:

ZINC000005178830

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).