BioLiP

PDB

BioLiP

PDB CCD ID:

M1M

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	S(S(=O)(=O)C)CSS(=O)(=O)C
OpenEye OEToolkits 1.7.6	CS(=O)(=O)SCSS(=O)(=O)C
CACTVS 3.385	C[S](=O)(=O)SCS[S](C)(=O)=O

Name:

1,1-Methanediyl Bismethanethiosulfonate;
S,S'-methylene dimethanesulfonothioate

ZINC:

ZINC000006259682

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).