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BioLiP

PDB CCD ID: BFM
Number of entries in BioLiP: 2
Chemical formula: C4 H2 F6 O3
InChI: InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)
InChIKey: CMQUGOHGJUTDGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(O)(C(=O)O)C(F)(F)F
OpenEye OEToolkits 1.7.6C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
CACTVS 3.370OC(=O)C(O)(C(F)(F)F)C(F)(F)F
Name:3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
ZINC: ZINC000004240965
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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