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BioLiP

PDB CCD ID: 7QE
Number of entries in BioLiP: 3
Chemical formula: C3 H2 F3 N O3
InChI: InChI=1S/C3H2F3NO3/c4-3(5,6)1(7-10)2(8)9/h10H,(H,8,9)/b7-1-
InChIKey: ABQHLJFPKHMBRJ-XFSBKJJWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=NO)(C(=O)O)C(F)(F)F
CACTVS 3.385O\N=C(\C(O)=O)C(F)(F)F
ACDLabs 12.01FC(F)(F)C(=N\O)/C(O)=O
OpenEye OEToolkits 2.0.7C(=N/O)(\C(=O)O)/C(F)(F)F
CACTVS 3.385ON=C(C(O)=O)C(F)(F)F
Name:(2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid
ChEMBL: CHEMBL4065995
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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