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BioLiP

PDB CCD ID: W6X
Number of entries in BioLiP: 1
Chemical formula: C3 H3 F3 O
InChI: InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
InChIKey: FHUDAMLDXFJHJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)C(F)(F)F
Name:1,1,1-tris(fluoranyl)propan-2-one
ZINC: ZINC000001693867
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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