SEQ2FUN

BioLiP

PDB CCD ID: KJ6
Number of entries in BioLiP: 3
Chemical formula: C6 H6 O3
InChI: InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKey: NSYSSMYQPLSPOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC(=CC(=O)O1)O
Name:6-methyl-4-oxidanyl-pyran-2-one
ChEMBL: CHEMBL54907
ZINC: ZINC000004273393
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).