BioLiP

PDB

BioLiP

PDB CCD ID:

QXE

Number of entries in BioLiP:

Chemical formula:

C4 H8 O3 S

InChI:

InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m1/s1

InChIKey:

AMXKVIWWXBYXRS-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CS(=O)(=O)C[C@@H]1O
CACTVS 3.385	O[CH]1CC[S](=O)(=O)C1
CACTVS 3.385	O[C@@H]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7	C1CS(=O)(=O)CC1O

Name:

3-hydroxythietane-1,1-dioxide;
(3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol

ZINC:

ZINC000003865985

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).