BioLiP

PDB

BioLiP

PDB CCD ID:

PIS

Number of entries in BioLiP:

Chemical formula:

H3 O6 P2 S

InChI:

InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1

InChIKey:

HWTUHTNZLQJJEV-UHFFFAOYSA-M

SMILES:

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

Name:

TRIHYDROGEN THIODIPHOSPHATE;
THIOPYROPHOSPHATE

DrugBank:

DB02423

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).