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BioLiP Library

PDB CCD ID: XHB
Number of entries in BioLiP: 2
Chemical formula: C7 H3 F3 O
InChI: InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey: KPJIEPBITZLHPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cc(F)c(C=O)c(F)c1
ACDLabs 12.01O=Cc1c(F)cc(F)cc1F
OpenEye OEToolkits 2.0.7c1c(cc(c(c1F)C=O)F)F
Name:2,4,6-trifluorobenzaldehyde
ZINC: ZINC000004290144
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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