BioLiP

PDB

BioLiP

PDB CCD ID:

A1CV3

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O2

InChI:

InChI=1S/C9H15NO2/c11-9(8-2-1-3-8)10-4-6-12-7-5-10/h8H,1-7H2

InChIKey:

PNAUTTGUBWLOMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(C1CCC1)N1CCOCC1
OpenEye OEToolkits 3.1.0.0	C1CC(C1)C(=O)N2CCOCC2
CACTVS 3.385	O=C(C1CCC1)N2CCOCC2

Name:

cyclobutyl(morpholin-4-yl)methanone

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).