BioLiP

PDB

BioLiP

PDB CCD ID:

TS6

Number of entries in BioLiP:

Chemical formula:

H3 O3 P S

InChI:

InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)

InChIKey:

RYYWUUFWQRZTIU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	OP(=O)(O)S
CACTVS 3.352	O[P](O)(S)=O
ACDLabs 11.02	O=P(O)(O)S

Name:

Monothiophosphate;
phosphorothioic O,O,S-acid

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).