SEQ2FUN

BioLiP

PDB CCD ID: HJP
Number of entries in BioLiP: 1
Chemical formula: C7 H6 O5
InChI: InChI=1S/C7H6O5/c1-3-2-4(8)5(9)6(12-3)7(10)11/h2,9H,1H3,(H,10,11)
InChIKey: IYJIUCSTNIURLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)C(=C(O1)C(O)=O)O
ACDLabs 12.01O=C(O)C=1OC(C)=CC(C=1O)=O
OpenEye OEToolkits 2.0.6CC1=CC(=O)C(=C(O1)C(=O)O)O
Name:3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
ChEMBL: CHEMBL4173478
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).