Chemical Components in the PDB

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MO7 : Summary

Code

MO7

One-letter code

X

Molecule name

bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI)

Systematic names

Not Assigned

Formula

Mo7 O24

Formal charge

-6

Molecular weight

1055.566 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 [O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
SMILES OpenEye OEToolkits 1.7.6 [O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]
Canonical SMILES CACTVS 3.370 [O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
Canonical SMILES OpenEye OEToolkits 1.7.6 [O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]

IUPAC InChI

InChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;6*-1

IUPAC InChI key

CFQDGBTUZUJXQE-UHFFFAOYSA-N
MO7

wwPDB Information

Atom count

31 (31 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-04-15

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned