BioLiP

PDB

BioLiP

PDB CCD ID:

K7A

Number of entries in BioLiP:

Chemical formula:

C6 H4 N2 O5

InChI:

InChI=1S/C6H4N2O5/c9-2-1-7-3(5(10)11)4(8-2)6(12)13/h1H,(H,8,9)(H,10,11)(H,12,13)

InChIKey:

IEFXAUUVZLXLNL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(nc(c(n1)C(=O)O)C(=O)O)O
CACTVS 3.385	OC(=O)c1ncc(O)nc1C(O)=O
ACDLabs 12.01	c1(c(C(O)=O)ncc(n1)O)C(O)=O

Name:

5-hydroxypyrazine-2,3-dicarboxylic acid

ZINC:

ZINC000015446196

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).