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BioLiP

PDB CCD ID: HVP
Number of entries in BioLiP: 4
Chemical formula: C6 H5 F O5 S2
InChI: InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12)
InChIKey: AFQCDYWSMCQAJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1ccccc1[S](F)(=O)=O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F
ACDLabs 12.01c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1
Name:2-(fluorosulfonyl)benzene-1-sulfonic acid
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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