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



MO7 : Atoms of Molecule

Total Number of Atoms: 31
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
2 O1 O O1 N N N 0
3 O2 O O2 N N N 0
4 O3 O O3 N N N 0
5 O4 O O4 N N N 0
6 O5 O O5 N N N 0
7 MO2 MO MO2 N N N 0
8 O6 O O6 N N N -1
9 O7 O O7 N N N 0
10 O8 O O8 N N N 0
11 MO3 MO MO3 N N N 0
12 O13 O O13 N N N 0
13 O9 O O9 N N N 0
14 O10 O O10 N N N -1
15 O11 O O11 N N N 0
16 MO4 MO MO4 N N N 0
17 O12 O O12 N N N 0
18 O14 O O14 N N N -1
19 MO5 MO MO5 N N N 0
20 O15 O O15 N N N 0
21 O16 O O16 N N N -1
22 O17 O O17 N N N 0
23 O18 O O18 N N N 0
24 O19 O O19 N N N 0
25 MO6 MO MO6 N N N 0
26 MO7 MO MO7 N N N 0
27 O20 O O20 N N N 0
28 O23 O O23 N N N 0
29 O21 O O21 N N N -1
30 O22 O O22 N N N 0
31 O24 O O24 N N N -1



MO7 : Chemical Bonds

Total Number of Bonds: 42
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 MO1 O1 MO O sing N N
2 MO1 O2 MO O sing N N
3 MO1 O3 MO O sing N N
4 MO1 O4 MO O sing N N
5 MO1 O5 MO O sing N N
6 MO1 O17 MO O sing N N
7 O1 MO5 O MO sing N N
8 O2 MO2 O MO sing N N
9 O2 MO3 O MO sing N N
10 O2 MO6 O MO sing N N
11 O3 MO3 O MO sing N N
12 O3 MO4 O MO sing N N
13 O4 MO2 O MO sing N N
14 O5 MO4 O MO sing N N
15 O5 MO5 O MO sing N N
16 O5 MO7 O MO sing N N
17 MO2 O6 MO O sing N N
18 MO2 O7 MO O sing N N
19 MO2 O8 MO O doub N N
20 MO2 O18 MO O sing N N
21 O7 MO3 O MO sing N N
22 MO3 O9 MO O sing N N
23 MO3 O10 MO O sing N N
24 MO3 O11 MO O doub N N
25 O9 MO4 O MO sing N N
26 MO4 O12 MO O sing N N
27 MO4 O13 MO O doub N N
28 MO4 O14 MO O sing N N
29 O12 MO5 O MO sing N N
30 MO5 O15 MO O doub N N
31 MO5 O16 MO O sing N N
32 MO5 O19 MO O sing N N
33 O17 MO6 O MO sing N N
34 O17 MO7 O MO sing N N
35 O18 MO6 O MO sing N N
36 O19 MO7 O MO sing N N
37 MO6 O20 MO O sing N N
38 MO6 O21 MO O sing N N
39 MO6 O22 MO O doub N N
40 MO7 O20 MO O sing N N
41 MO7 O23 MO O doub N N
42 MO7 O24 MO O sing N N



MO7 : Used in PDB Entries

Total Number of PDB Entries: 3
Ligand Code PDB Entry ID Type Total Distinct
MO7 1p0z Open in New Window Bound ligand 10 1
MO7 3zx0 Open in New Window Bound ligand 4 1
MO7 4bvp Open in New Window Bound ligand 2 1