BioLiP

PDB

BioLiP

PDB CCD ID:

INO

Number of entries in BioLiP:

Chemical formula:

C6 H5 N O4

InChI:

InChI=1S/C6H5NO4/c8-5-3-4(6(9)10)1-2-7(5)11/h1-3,8H,(H,9,10)

InChIKey:

OFOAWMIVKVXKCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)c1cc[n+]([O-])c(O)c1
OpenEye OEToolkits 1.5.0	c1c[n+](c(cc1C(=O)O)O)[O-]
ACDLabs 10.04	O=C(O)c1cc[n+]([O-])c(O)c1

Name:

2-HYDROXYISONICOTINIC ACID N-OXIDE

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).