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BioLiP

PDB CCD ID: K7A
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(nc(c(n1)C(=O)O)C(=O)O)O
CACTVS 3.385OC(=O)c1ncc(O)nc1C(O)=O
ACDLabs 12.01c1(c(C(O)=O)ncc(n1)O)C(O)=O
Name:5-hydroxypyrazine-2,3-dicarboxylic acid
ZINC: ZINC000015446196
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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