Chemical Components in the PDB

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IUM : Summary

Code

IUM

One-letter code

X

Molecule name

URANYL (VI) ION

Systematic names

ProgramVersionName
ACDLabs 10.04 For multi-component charged structures, a total zero charge is required!
OpenEye OEToolkits 1.5.0 dioxidouranium

Formula

O2 U

Formal charge

2

Molecular weight

270.028 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-][U][O-]
SMILES CACTVS 3.341 [O-][U][O-]
SMILES OpenEye OEToolkits 1.5.0 [O-][U+4][O-]
Canonical SMILES CACTVS 3.341 [O-][U][O-]
Canonical SMILES OpenEye OEToolkits 1.5.0 [O-][U+4][O-]

IUPAC InChI

InChI=1S/2O.U/q2*-1;

IUPAC InChI key

IZLHQJIUOZHTLW-UHFFFAOYSA-N
IUM

wwPDB Information

Atom count

3 (3 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