BioLiP

PDB

BioLiP

PDB CCD ID:

MTG

Number of entries in BioLiP:

Chemical formula:

C3 H5 O2 S

InChI:

InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1

InChIKey:

HGTBAIVLETUVCG-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CSCC(=O)[O-]
ACDLabs 10.04	[O-]C(=O)CSC
CACTVS 3.341	CSCC([O-])=O

Name:

[METHYLTHIO]ACETATE

DrugBank:

DB03517

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).