Chemical Components in the PDB

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CAD : Summary

Code

CAD

One-letter code

X

Molecule name

CACODYLIC ACID

Synonyms

HYDROXYDIMETHYLARSINE OXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 dimethylarsinic acid
OpenEye OEToolkits 1.5.0 dimethylarsinic acid

Formula

C2 H7 As O2

Formal charge

0

Molecular weight

137.997 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)

IUPAC InChI key

OGGXGZAMXPVRFZ-UHFFFAOYSA-N
CAD

wwPDB Information

Atom count

12 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned