BioLiP

PDB

BioLiP

PDB CCD ID:

TEG

Number of entries in BioLiP:

Chemical formula:

C6 H12 O5

InChI:

InChI=1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)

InChIKey:

PRBXPAHXMGDVNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCOCCOCC(O)=O
OpenEye OEToolkits 1.9.2	C(COCCOCC(=O)O)O
ACDLabs 12.01	C(=O)(O)COCCOCCO

Name:

[2-(2-hydroxyethoxy)ethoxy]acetic acid

ZINC:

ZINC000110906804

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).