Chemical Components in the PDB

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OFO : Summary

Code

OFO

One-letter code

X

Molecule name

HYDROXY DIIRON-OXO MOIETY

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 hydroxyferriooxyiron

Formula

Fe2 H O2

Formal charge

0

Molecular weight

144.697 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 O[Fe]O[Fe]
SMILES OpenEye OEToolkits 1.5.0 O[Fe]O[Fe]
Canonical SMILES CACTVS 3.341 O[Fe]O[Fe]
Canonical SMILES OpenEye OEToolkits 1.5.0 O[Fe]O[Fe]

IUPAC InChI

InChI=1S/2Fe.H2O.O/h;;1H2;/q;+1;;/p-1

IUPAC InChI key

HLBQEWFJZLSCMX-UHFFFAOYSA-M
OFO

wwPDB Information

Atom count

5 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned