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BioLiP

PDB CCD ID: B7F
Number of entries in BioLiP: 4
Chemical formula: C4 H3 F7 O
InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(F)(F)C(F)(F)CO
OpenEye OEToolkits 2.0.7C(C(C(C(F)(F)F)(F)F)(F)F)O
CACTVS 3.385OCC(F)(F)C(F)(F)C(F)(F)F
Name:2,2,3,3,4,4,4-heptafluorobutan-1-ol
ChEMBL: CHEMBL4570439
ZINC: ZINC000001690278
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)(download the PDF file).
  • 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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