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BioLiP

PDB CCD ID: A1H9I
Number of entries in BioLiP: 8
Chemical formula: C5 H13 F N O
InChI: InChI=1S/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1
InChIKey: PBVFROWIWWGIFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[N+](C)(CCO)CF
CACTVS 3.385C[N+](C)(CF)CCO
Name:fluoromethylcholine;
N-(fluoromethyl)-2-hydroxy-N,N- dimethylethan-1-aminium
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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