BioLiP

PDB

BioLiP

PDB CCD ID:

QTQ

Number of entries in BioLiP:

Chemical formula:

C4 H8 O4 S

InChI:

InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1

InChIKey:

LDVDYVUZEKIBDP-IMJSIDKUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1C[S](=O)(=O)C[C@@H]1O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H](CS1(=O)=O)O)O
CACTVS 3.385	O[CH]1C[S](=O)(=O)C[CH]1O
OpenEye OEToolkits 2.0.7	C1C(C(CS1(=O)=O)O)O

Name:

(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol

ZINC:

ZINC000001083909

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).