BioLiP

PDB

BioLiP

PDB CCD ID:

1PY

Number of entries in BioLiP:

Chemical formula:

C9 H8 O3

InChI:

InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/f/h11H

InChIKey:

BTNMPGBKDVTSJY-WXRBYKJCCU

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(=O)C(=O)O
CACTVS 3.341	OC(=O)C(=O)Cc1ccccc1
ACDLabs 10.04	O=C(C(=O)O)Cc1ccccc1

Name:

2-OXO-3-PHENYLPROPIONIC ACID

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).