BioLiP

PDB

BioLiP

PDB CCD ID:

4Y8

Number of entries in BioLiP:

Chemical formula:

C3 H6 O2

InChI:

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChIKey:

XLSMFKSTNGKWQX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(C)CO
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC(=O)CO

Name:

1-hydroxypropan-2-one

ZINC:

ZINC000000895664

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).