SEQ2FUN

BioLiP

PDB CCD ID: 3GQ
Number of entries in BioLiP: 3
Chemical formula: C9 H6 O6
InChI: InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey: UJMDYLWCYJJYMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(C(O)=O)c1C(O)=O
ACDLabs 12.01O=C(O)c1cccc(C(=O)O)c1C(=O)O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O
Name:benzene-1,2,3-tricarboxylic acid
ChEMBL: CHEMBL1161013
ZINC: ZINC000000388710
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).