Chemical Components in the PDB

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FC6 : Summary

Code

FC6

One-letter code

X

Molecule name

HEXACYANOFERRATE(3-)

Synonyms

FERRI(III)HEXACYANIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 hexakis(cyano-kappaC)iron
OpenEye OEToolkits 1.5.0 hexacyanoiron

Formula

C6 Fe N6

Formal charge

0

Molecular weight

211.949 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
SMILES CACTVS 3.341 N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
SMILES OpenEye OEToolkits 1.5.0 C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N
Canonical SMILES CACTVS 3.341 N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
Canonical SMILES OpenEye OEToolkits 1.5.0 C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N

IUPAC InChI

InChI=1S/6CN.Fe/c6*1-2;

IUPAC InChI key

HCMVSLMENOCDCK-UHFFFAOYSA-N
FC6

wwPDB Information

Atom count

13 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned