Chemical Components in the PDB

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VX : Summary

Code

VX

One-letter code

X

Molecule name

O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP

Systematic names

ProgramVersionName
ACDLabs 10.04 ethyl hydrogen (S)-methylphosphonate
OpenEye OEToolkits 1.5.0 ethoxy-methyl-phosphinic acid

Formula

C3 H9 O3 P

Formal charge

0

Molecular weight

124.076 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(OCC)C
SMILES CACTVS 3.341 CCO[P](C)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(C)O
Canonical SMILES CACTVS 3.341 CCO[P@](C)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCO[P@](=O)(C)O

IUPAC InChI

InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)

IUPAC InChI key

UFZOPKFMKMAWLU-UHFFFAOYSA-N
VX

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned