Chemical Components in the PDB

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DZZ : Summary

Code

DZZ

One-letter code

X

Molecule name

O,O-DIMETHYL HYDROGEN THIOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 O,O-dimethyl hydrogen thiophosphate
OpenEye OEToolkits 1.5.0 hydroxy-dimethoxy-sulfanylidene-phosphorane

Formula

C2 H7 O3 P S

Formal charge

0

Molecular weight

142.114 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 S=P(O)(OC)OC
SMILES CACTVS 3.341 CO[P](O)(=S)OC
SMILES OpenEye OEToolkits 1.5.0 COP(=S)(O)OC
Canonical SMILES CACTVS 3.341 CO[P](O)(=S)OC
Canonical SMILES OpenEye OEToolkits 1.5.0 COP(=S)(O)OC

IUPAC InChI

InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)

IUPAC InChI key

WWJJVKAEQGGYHJ-UHFFFAOYSA-N
DZZ

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-12

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned