BioLiP

PDB

BioLiP

PDB CCD ID:

P2O

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2

InChI:

InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2

InChIKey:

LLGPRHHHEVBUJY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C#CCN1CCOC1=O
ACDLabs 10.04 CACTVS 3.341	O=C1OCCN1CC#C

Name:

3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE;
1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE

ZINC:

ZINC000034632696

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).