BioLiP

PDB

BioLiP

PDB CCD ID:

PSL

Number of entries in BioLiP:

Chemical formula:

O7 S2

InChI:

InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2

InChIKey:

VFNGKCDDZUSWLR-UHFFFAOYSA-L

SMILES:

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

Name:

PYROSULFATE

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).