SEQ2FUN

BioLiP

PDB CCD ID: HFO
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChIKey: UCQUAMAQHHEXGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(c(c1)O)O
CACTVS 3.385CC(=O)c1ccc(O)c(O)c1
Name:1-[3,4-bis(oxidanyl)phenyl]ethanone
ChEMBL: CHEMBL243161
ZINC: ZINC000000900177
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).