Chemical Components in the PDB

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6ML : Summary

Code

6ML

One-letter code

X

Molecule name

oxygen-damaged SF4

Systematic names

Not Assigned

Formula

Fe4 O2 S4

Formal charge

0

Molecular weight

383.639 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
SMILES OpenEye OEToolkits 2.0.5 O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]
Canonical SMILES CACTVS 3.385 S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
Canonical SMILES OpenEye OEToolkits 2.0.5 O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]

IUPAC InChI

InChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1

IUPAC InChI key

DCVJTSMMUVGUAG-UHFFFAOYSA-M
6ML

wwPDB Information

Atom count

10 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-09

Last modified at

2017-03-17

Status

Released

Obsoleted

Not Assigned