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BioLiP

PDB CCD ID: WIY
Number of entries in BioLiP: 3
Chemical formula: C4 H7 F3 O
InChI: InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey: VKRFUGHXKNNIJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(F)(F)F)CO
ACDLabs 12.01FC(F)(F)CCCO
CACTVS 3.385OCCCC(F)(F)F
Name:4,4,4-trifluorobutan-1-ol
ChEMBL: CHEMBL4438811
ZINC: ZINC000004290166
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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