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BioLiP

PDB CCD ID: R4W
Number of entries in BioLiP: 2
Chemical formula: C3 H8 O2 S
InChI: InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChIKey: YBJCDTIWNDBNTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCS(=O)(=O)C
CACTVS 3.385CC[S](C)(=O)=O
Name:1-methylsulfonylethane;
trans-3,4-dihydroxysulfolane;
ethyl methyl sulfone
ZINC: ZINC000002560633
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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