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BioLiP

PDB CCD ID: M1M
Number of entries in BioLiP: 2
Chemical formula: C3 H8 O4 S4
InChI: InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
InChIKey: SFSDVHMSSISWGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S(S(=O)(=O)C)CSS(=O)(=O)C
OpenEye OEToolkits 1.7.6CS(=O)(=O)SCSS(=O)(=O)C
CACTVS 3.385C[S](=O)(=O)SCS[S](C)(=O)=O
Name:1,1-Methanediyl Bismethanethiosulfonate;
S,S'-methylene dimethanesulfonothioate
ZINC: ZINC000006259682
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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