SEQ2FUN

BioLiP

PDB CCD ID: GOG
Number of entries in BioLiP: 2
Chemical formula: C8 H6 O5
InChI: InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey: MNUOZFHYBCRUOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(O)c1C(O)=O
ACDLabs 12.01c1(c(C(O)=O)cccc1O)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)O)C(=O)O)C(=O)O
Name:3-hydroxybenzene-1,2-dicarboxylic acid
ChEMBL: CHEMBL2420930
ZINC: ZINC000001640901
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).