BioLiP

PDB

BioLiP

PDB CCD ID:

A1H9K

Number of entries in BioLiP:

Chemical formula:

C7 H16 N O

InChI:

InChI=1S/C7H16NO/c1-8(2,5-6-9)7-3-4-7/h7,9H,3-6H2,1-2H3/q+1

InChIKey:

BVCAJCAPSNWOCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[N+](C)(CCO)C1CC1

Name:

cyclopropylcholine;
cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium;
N-(2-hydroxyethyl)-N,N-dimethylcyclopropanaminium

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).