BioLiP

PDB

BioLiP

PDB CCD ID:

HXT

Number of entries in BioLiP:

Chemical formula:

C8 H8 O2

InChI:

InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

InChIKey:

ZWVHTXAYIKBMEE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1ccccc1)CO
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)CO
CACTVS 3.385	OCC(=O)c1ccccc1

Name:

2-hydroxy-1-phenylethanone;
2-Hydroxyacetophenone

ZINC:

ZINC000006116374

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).