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BioLiP

PDB CCD ID: 03S
Number of entries in BioLiP: 16
Chemical formula: C H4 O3 S
InChI: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey: AFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C
OpenEye OEToolkits 1.7.2CS(=O)(=O)O
CACTVS 3.370C[S](O)(=O)=O
Name:methanesulfonic acid
ChEMBL: CHEMBL3039600
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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