Chemical Components in the PDB

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D6N : Summary

Code

D6N

One-letter code

X

Molecule name

FeV

Systematic names

Not Assigned

Formula

C Fe7 N S7 V

Formal charge

0

Molecular weight

692.329 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2
SMILES OpenEye OEToolkits 2.0.6 C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81
Canonical SMILES CACTVS 3.385 N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2
Canonical SMILES OpenEye OEToolkits 2.0.6 C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81

IUPAC InChI

InChI=1S/C.7Fe.HN.7S.V/h;;;;;;;;1H;;;;;;;;

IUPAC InChI key

YNVNIECPQFRAMK-UHFFFAOYSA-N
D6N

wwPDB Information

Atom count

17 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-02

Last modified at

2018-03-23

Status

Released

Obsoleted

Not Assigned