Chemical Components in the PDB

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BA : Summary

Code

BA

One-letter code

X

Molecule name

BARIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 barium
OpenEye OEToolkits 1.5.0 barium(+2) cation

Formula

Ba

Formal charge

2

Molecular weight

137.327 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [Ba+2]
SMILES CACTVS 3.341 [Ba++]
SMILES OpenEye OEToolkits 1.5.0 [Ba+2]
Canonical SMILES CACTVS 3.341 [Ba++]
Canonical SMILES OpenEye OEToolkits 1.5.0 [Ba+2]

IUPAC InChI

InChI=1S/Ba/q+2

IUPAC InChI key

XDFCIPNJCBUZJN-UHFFFAOYSA-N
BA

wwPDB Information

Atom count

1 (1 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned