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BioLiP Library

PDB CCD ID: XFV
Number of entries in BioLiP: 6
Chemical formula: C3 H6 O2 S
InChI: InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChIKey: FCFMKFHUNDYKEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S1(CCC1)=O
OpenEye OEToolkits 2.0.7C1CS(=O)(=O)C1
CACTVS 3.385O=[S]1(=O)CCC1
Name:1lambda~6~-thietane-1,1-dione
ZINC: ZINC000001674494
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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