BioLiP

PDB

BioLiP

PDB CCD ID:

SGL

Number of entries in BioLiP:

Chemical formula:

C3 H8 O3 S

InChI:

InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1

InChIKey:

DLQCXFUWHQZWJQ-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C([C@H](CSO)O)O
CACTVS 3.352	OC[CH](O)CSO
ACDLabs 11.02	OCC(O)CSO
OpenEye OEToolkits 1.7.0	C(C(CSO)O)O
CACTVS 3.352	OC[C@@H](O)CSO

Name:

1-HYDROXY-1-THIO-GLYCEROL

DrugBank:

DB01684

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).