BioLiP

PDB

BioLiP

PDB CCD ID:

J6Z

Number of entries in BioLiP:

Chemical formula:

C4 H9 O3 S

InChI:

InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1

InChIKey:

BRXCDHOLJPJLLT-SCSAIBSYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC[C@@H](C)S(=O)(=O)[O-]
CACTVS 3.352	CC[C@@H](C)[S]([O-])(=O)=O
OpenEye OEToolkits 1.7.0	CCC(C)S(=O)(=O)[O-]
ACDLabs 11.02	[O-]S(=O)(=O)C(C)CC
CACTVS 3.352	CC[CH](C)[S]([O-])(=O)=O

Name:

(2R)-butane-2-sulfonate

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).