BioLiP

PDB

BioLiP

PDB CCD ID:

A1BNQ

Number of entries in BioLiP:

Chemical formula:

C4 H6 O2

InChI:

InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3

InChIKey:

PKQIDSVLSKFZQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52 CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CC(=O)CC=O

Name:

acetoacetyl group

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).