Chemical Components in the PDB

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M27 : Summary

Code

M27

One-letter code

X

Molecule name

bis(mu2-oxo)-octaoxo-dimolybdenum (VI)

Synonyms

dimolybdate [Mo(VI)2O10]8-

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 2,2,2,2,4,4,4,4-octakis(oxidanidyl)-1,3-dioxa-2$l^{6},4$l^{6}-dimolybdacyclobutane

Formula

Mo2 O10

Formal charge

-8

Molecular weight

351.874 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1
SMILES OpenEye OEToolkits 1.7.6 [O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]
Canonical SMILES CACTVS 3.385 [O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1
Canonical SMILES OpenEye OEToolkits 1.7.6 [O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]

IUPAC InChI

InChI=1S/2Mo.10O/q;;;;8*-1

IUPAC InChI key

OMHJAEGSJTZMPB-UHFFFAOYSA-N
M27

wwPDB Information

Atom count

12 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-06-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned



M27 : Atoms of Molecule

Total Number of Atoms: 12
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 MO1 MO MO1 N N N 0 -1.414 0.0 0.0
2 O1 O O1 N N N -1 -2.828 0.0 -1.414
3 O7 O O7 N N N -1 -1.414 2.0 0.0
4 MO2 MO MO2 N N N 0 1.414 0.0 0.0
5 O2 O O2 N N N 0 0.0 0.0 -1.414
6 O4 O O4 N N N -1 1.414 -2.0 0.0
7 O6 O O6 N N Y -1 -2.828 0.0 1.414
8 O8 O O8 N N N -1 1.414 2.0 0.0
9 O3 O O3 N N N -1 2.828 0.0 1.414
10 O5 O O5 N N Y 0 0.0 0.0 1.414
11 O10 O O10 N N Y -1 2.828 0.0 -1.414
12 O9 O O9 N N Y -1 -1.414 -2.0 0.0



M27 : Chemical Bonds

Total Number of Bonds: 12
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 MO1 O1 MO O sing 2.0 N N
2 MO1 O6 MO O sing 2.0 N N
3 MO1 O7 MO O sing 2.0 N N
4 MO1 O2 MO O sing 2.0 N N
5 MO1 O9 MO O sing 2.0 N N
6 MO1 O5 MO O sing 2.0 N N
7 MO2 O4 MO O sing 2.0 N N
8 MO2 O8 MO O sing 2.0 N N
9 MO2 O2 MO O sing 2.0 N N
10 MO2 O3 MO O sing 2.0 N N
11 MO2 O5 MO O sing 2.0 N N
12 MO2 O10 MO O sing 2.0 N N



M27 : Used in PDB Entries

Total Number of PDB Entries: 3
Ligand Code PDB Entry ID Type Total Distinct
M27 4brf Open in New Window Bound ligand 1 1
M27 4bvp Open in New Window Bound ligand 4 1
M27 6h8h Open in New Window Bound ligand 1 1