BioLiP

PDB

BioLiP

PDB CCD ID:

8X3

Number of entries in BioLiP:

Chemical formula:

C2 H6 O4 S

InChI:

InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)

InChIKey:

SUMDYPCJJOFFON-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCC[S](O)(=O)=O
OpenEye OEToolkits 2.0.6	C(CS(=O)(=O)O)O

Name:

2-hydroxyethylsulfonic acid;
2-oxidanylethanesulfonic acid

ZINC:

ZINC000003875755

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).