BioLiP

PDB

BioLiP

PDB CCD ID:

OJX

Number of entries in BioLiP:

Chemical formula:

C6 H7 N2 O3

InChI:

InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H-,7,9,10,11)/p+1

InChIKey:

SVUSRFFHFGAVHH-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cnc(c[n+]1O)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1cnc(c[n+]1O)C(=O)O

Name:

5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid

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).