BioLiP

PDB

BioLiP

PDB CCD ID:

MMQ

Number of entries in BioLiP:

Chemical formula:

C H3 O3 P S

InChI:

InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2

InChIKey:

MJZCELCYTRONIX-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(P(=O)([O-])[O-])S
CACTVS 3.341	[O-][P]([O-])(=O)CS
ACDLabs 10.04	[O-]P([O-])(=O)CS

Name:

MERCAPTOMETHYL PHOSPHONATE

DrugBank:

DB03498

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).