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BioLiP

PDB CCD ID: CFH
Number of entries in BioLiP: 15
Chemical formula: C3 H2 F6 O
InChI: InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKey: BYEAHWXPCBROCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(C(F)(F)F)C(F)(F)F
OpenEye OEToolkits 1.5.0C(C(F)(F)F)(C(F)(F)F)O
ACDLabs 10.04FC(F)(F)C(O)C(F)(F)F
Name:1,1,1,3,3,3-hexafluoropropan-2-ol
ChEMBL: CHEMBL1231750
ZINC: ZINC000003860857
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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