BioLiP

PDB

BioLiP

PDB CCD ID:

GHO

Number of entries in BioLiP:

Chemical formula:

C2 H6 O4 S

InChI:

InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1

InChIKey:

WLXGQMVCYPUOLM-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](O)S(=O)(=O)O
CACTVS 3.385	C[C@H](O)[S](O)(=O)=O
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CC(O)S(=O)(=O)O
CACTVS 3.385	C[CH](O)[S](O)(=O)=O

Name:

(1R)-1-hydroxyethane-1-sulfonic acid

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).