SEQ2FUN

BioLiP

PDB CCD ID: G5Y
Number of entries in BioLiP: 1
Chemical formula: C6 H4 O5
InChI: InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)
InChIKey: XZUDOWCTKOXYCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=C(O)C(=O)C=CO1
ACDLabs 12.01O=C(O)C=1OC=CC(C=1O)=O
OpenEye OEToolkits 2.0.6C1=COC(=C(C1=O)O)C(=O)O
Name:3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
ChEMBL: CHEMBL109448
ZINC: ZINC000026973446
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).