SEQ2FUN

BioLiP

PDB CCD ID: BTT
Number of entries in BioLiP: 12
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
InChIKey: UYQMSQMCIYSXOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c(cc(c1O)O)O)O
CACTVS 3.341Oc1cc(O)c(O)cc1O
ACDLabs 10.04Oc1c(O)cc(O)c(O)c1
Name:BENZENE-1,2,4,5-TETROL
ZINC: ZINC000001727808
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).