BioLiP

PDB

BioLiP

PDB CCD ID:

XDV

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3

InChI:

InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)

InChIKey:

CDFONQZJZPNQML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(COCCOCC(=O)N)N
ACDLabs 12.01	NC(COCCOCCN)=O
CACTVS 3.385	NCCOCCOCC(N)=O

Name:

2-[2-(2-aminoethoxy)ethoxy]acetamide

ZINC:

ZINC000108232355

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).