Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TS6 : Summary

Code

TS6

One-letter code

X

Molecule name

Monothiophosphate

Synonyms

phosphorothioic O,O,S-acid

Systematic names

ProgramVersionName
ACDLabs 11.02 phosphorothioic O,O,S-acid
OpenEye OEToolkits 1.6.1 sulfanylphosphonic acid

Formula

H3 O3 P S

Formal charge

0

Molecular weight

114.061 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

RYYWUUFWQRZTIU-UHFFFAOYSA-N
TS6

wwPDB Information

Atom count

8 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-08-31

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned