Chemical Components in the PDB

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AST : Summary

Code

AST

One-letter code

X

Molecule name

ARSENITE

Systematic names

ProgramVersionName
ACDLabs 10.04 arsenite
OpenEye OEToolkits 1.5.0 arsorite

Formula

As O3

Formal charge

-3

Molecular weight

122.92 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-][As]([O-])[O-]
SMILES CACTVS 3.341 [O-][As]([O-])[O-]
SMILES OpenEye OEToolkits 1.5.0 [O-][As]([O-])[O-]
Canonical SMILES CACTVS 3.341 [O-][As]([O-])[O-]
Canonical SMILES OpenEye OEToolkits 1.5.0 [O-][As]([O-])[O-]

IUPAC InChI

InChI=1S/AsO3/c2-1(3)4/q-3

IUPAC InChI key

OWTFKEBRIAXSMO-UHFFFAOYSA-N
AST

wwPDB Information

Atom count

4 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-05-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned