Chemical Components in the PDB

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CFN : Summary

Code

CFN

One-letter code

X

Molecule name

FE(7)-MO-S(9)-N CLUSTER

Systematic names

Not Assigned

Formula

Fe7 Mo N S9

Formal charge

0

Molecular weight

789.447 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12
SMILES OpenEye OEToolkits 1.7.6 N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
Canonical SMILES CACTVS 3.385 [N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12
Canonical SMILES OpenEye OEToolkits 1.7.6 N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12

IUPAC InChI

InChI=1S/7Fe.Mo.N.9S

IUPAC InChI key

OSSJGSCTDHHOOW-UHFFFAOYSA-N
CFN

wwPDB Information

Atom count

18 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-23

Last modified at

2018-02-19

Status

Released

Obsoleted

Not Assigned