SEQ2FUN

BioLiP

PDB CCD ID: TRC
Number of entries in BioLiP: 4
Chemical formula: C6 H8 O6
InChI: InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: KQTIIICEAUMSDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CC(CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(CC(=O)O)C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CC(C(=O)O)CC(=O)O
Name:TRICARBALLYLIC ACID
ChEMBL: CHEMBL1236394
DrugBank: DB04562
ZINC: ZINC000000334493
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).