Chemical Components in the PDB

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4SM : Summary

Code

4SM

One-letter code

X

Molecule name

TETRATHIOMOLYBDATE

Systematic names

ProgramVersionName
ACDLabs 11.02 disulfido(dithioxo)molybdenum
OpenEye OEToolkits 1.6.1 bis(sulfanidyl)-bis(sulfanylidene)molybdenum

Formula

Mo S4

Formal charge

-2

Molecular weight

224.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 [S-][Mo]([S-])(=S)=S
SMILES CACTVS 3.352 [S-][Mo]([S-])(=S)=S
SMILES OpenEye OEToolkits 1.7.0 [S-][Mo](=S)(=S)[S-]
Canonical SMILES CACTVS 3.352 [S-][Mo]([S-])(=S)=S
Canonical SMILES OpenEye OEToolkits 1.7.0 [S-][Mo](=S)(=S)[S-]

IUPAC InChI

InChI=1S/Mo.4S/q;;;2*-1

IUPAC InChI key

CXVCSRUYMINUSF-UHFFFAOYSA-N
4SM

wwPDB Information

Atom count

5 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned