Chemical Components in the PDB

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ZR : Summary

Code

ZR

One-letter code

X

Molecule name

ZIRCONIUM ION

Systematic names

ProgramVersionName
ACDLabs 12.01 zirconium(4+)
OpenEye OEToolkits 1.7.6 zirconium(4+)

Formula

Zr

Formal charge

4

Molecular weight

91.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [Zr+4]
SMILES CACTVS 3.385 [Zr+4]
SMILES OpenEye OEToolkits 1.7.6 [Zr+4]
Canonical SMILES CACTVS 3.385 [Zr+4]
Canonical SMILES OpenEye OEToolkits 1.7.6 [Zr+4]

IUPAC InChI

InChI=1S/Zr/q+4

IUPAC InChI key

GBNDTYKAOXLLID-UHFFFAOYSA-N
ZR

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

2016-06-17

Last modified at

2017-04-21

Status

Released

Obsoleted

Not Assigned