BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGL

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O2

InChI:

InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m0/s1

InChIKey:

QDMNNMIOWVJVLY-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1N[CH](CO1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@@H]2COC(=O)N2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2COC(=O)N2
CACTVS 3.385	O=C1N[C@@H](CO1)c2ccccc2

Name:

(4R)-4-phenyl-1,3-oxazolidin-2-one

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).