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BioLiP

PDB CCD ID: Z22
Number of entries in BioLiP: 1
Chemical formula: C2 H6 O2 S2
InChI: InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey: XYONNSVDNIRXKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CSS(=O)(=O)C
CACTVS 3.352CS[S](C)(=O)=O
Name:S-methyl methanesulfonothioate;
S-Methyl methanethiosulfonate
ChEMBL: CHEMBL1236925
ZINC: ZINC000004268917
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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