TS6

Monothiophosphate

Created:	2009-08-31
Last modified:	2021-03-13

Find Related PDB Entry
13 entries where TS6 is found as a standalone ligand1 entries where TS6 is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	0
Bond Count	7
Aromatic Bond Count	0

2D diagram of TS6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	Monothiophosphate
Synonyms	phosphorothioic O,O,S-acid
Systematic Name (OpenEye OEToolkits)	sulfanylphosphonic acid
Formula	H₃ O₃ P S
Molecular Weight	114.061
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)S
SMILES	CACTVS	3.352	O[P](O)(S)=O
SMILES	OpenEye OEToolkits	1.7.0	OP(=O)(O)S
Canonical SMILES	CACTVS	3.352	O[P](O)(S)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	OP(=O)(O)S
InChI	InChI	1.03	InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)
InChIKey	InChI	1.03	RYYWUUFWQRZTIU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167254, 19601395, 64729
ChEBI	CHEBI:46613, CHEBI:46611

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.