BioLiP

PDB

BioLiP

PDB CCD ID:

XN7

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3

InChI:

InChI=1S/C6H14N2O3/c9-3-1-7-5-6(11)8-2-4-10/h7,9-10H,1-5H2,(H,8,11)

InChIKey:

IXMVWXRQTPARRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCNCC(=O)NCCO
OpenEye OEToolkits 2.0.7	C(CO)NCC(=O)NCCO
ACDLabs 12.01	C(CNCC(NCCO)=O)O

Name:

N,N~2~-bis(2-hydroxyethyl)glycinamide

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).