SEQ2FUN

BioLiP

PDB CCD ID: TFA
Number of entries in BioLiP: 80
Chemical formula: C2 H F3 O2
InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
Name:trifluoroacetic acid
ChEMBL: CHEMBL506259
ZINC: ZINC000003860798
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).