BioLiP

PDB

BioLiP

PDB CCD ID:

03S

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	O=S(=O)(O)C
OpenEye OEToolkits 1.7.2	CS(=O)(=O)O
CACTVS 3.370	C[S](O)(=O)=O

Name:

methanesulfonic acid

ChEMBL:

CHEMBL3039600

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).