BioLiP

PDB

BioLiP

PDB CCD ID:

OP2

Number of entries in BioLiP:

Chemical formula:

C12 H24 O8

InChI:

InChI=1S/C12H24O8/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h13H,1-11H2,(H,14,15)

InChIKey:

SXGGZTBEWZFLBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(COCCOCCOCCOCCOCC(=O)O)O
CACTVS 3.385	OCCOCCOCCOCCOCCOCC(O)=O
ACDLabs 12.01	O=C(O)COCCOCCOCCOCCOCCO

Name:

2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid

ZINC:

ZINC000095920522

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).