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BioLiP

PDB CCD ID: TFS
Number of entries in BioLiP: 2
Chemical formula: C H F3 O3 S
InChI: InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey: ITMCEJHCFYSIIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)C(F)(F)F
OpenEye OEToolkits 1.5.0C(F)(F)(F)S(=O)(=O)O
ACDLabs 10.04FC(F)(F)S(=O)(=O)O
Name:trifluoromethanesulfonic acid
ChEMBL: CHEMBL1236265
ZINC: ZINC000011027584
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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