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BioLiP

PDB CCD ID: HSF
Number of entries in BioLiP: 0
Chemical formula: C16 H33 F O2 S
InChI: InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
InChIKey: QIVFMUVBIHIZAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCC[S](F)(=O)=O
ACDLabs 10.04FS(=O)(=O)CCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)F
Name:1-HEXADECYLSULFONYL FLUORIDE
ChEMBL: CHEMBL94809
DrugBank: DB02035
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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