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BioLiP

PDB CCD ID: W6Z
Number of entries in BioLiP: 1
Chemical formula: C3 H5 F3 O2
InChI: InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3
InChIKey: BQAKXJSYMYZORI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(F)(F)F)(O)O
CACTVS 3.385CC(O)(O)C(F)(F)F
Name:1,1,1-tris(fluoranyl)propane-2,2-diol
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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