BioLiP

PDB

BioLiP

PDB CCD ID:

CG3

Number of entries in BioLiP:

Chemical formula:

C6 H6 N O3

InChI:

InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1

InChIKey:

CQQWRROYUSGJIU-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.352	Oc1ccccc1[N+](O)=O
ACDLabs 10.04	O=[N+](O)c1ccccc1O
OpenEye OEToolkits 1.6.1	c1ccc(c(c1)[N+](=O)O)O

Name:

HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM

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).