![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
GX2 : Summary
Code ![](/pdbe/static/images/help.png)
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GX2
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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Mo14O47 cluster
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Systematic names ![](/pdbe/static/images/help.png)
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Not Assigned
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Formula ![](/pdbe/static/images/help.png)
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H17 Mo14 O47
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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2112.267 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O)(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15(O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O%13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%15)(O9)O[Mo](O)(O)(O%11)(O%14)O%17 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O |
Canonical SMILES
|
CACTVS |
3.385 |
O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O)(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15(O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O%13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%15)(O9)O[Mo](O)(O)(O%11)(O%14)O%17 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/14Mo.17H2O.30O/h;;;;;;;;;;;;;;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;5*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-17 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CTEDOAJRLHQTLF-UHFFFAOYSA-A |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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78 (61 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-10-26
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Last modified at ![](/pdbe/static/images/help.png)
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2018-11-09
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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GX2 : Atoms of Molecule
Total Number of Atoms: 78
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
O31 |
O |
O1 |
N |
N |
N |
0 |
63.266 |
35.022 |
12.207 |
2 |
O32 |
O |
O2 |
N |
N |
N |
0 |
62.09 |
34.72 |
14.633 |
3 |
O33 |
O |
O3 |
N |
N |
N |
0 |
61.066 |
36.635 |
12.56 |
4 |
O34 |
O |
O4 |
N |
N |
N |
0 |
61.647 |
34.615 |
11.107 |
5 |
O35 |
O |
O5 |
N |
N |
N |
0 |
62.16 |
32.967 |
12.528 |
6 |
O36 |
O |
O6 |
N |
N |
N |
0 |
59.662 |
35.122 |
12.776 |
7 |
O41 |
O |
O7 |
N |
N |
N |
0 |
59.831 |
32.193 |
10.863 |
8 |
O42 |
O |
O8 |
N |
N |
N |
0 |
59.93 |
30.134 |
12.547 |
9 |
O43 |
O |
O9 |
N |
N |
N |
0 |
61.386 |
31.7 |
13.725 |
10 |
O51 |
O |
O10 |
N |
N |
N |
0 |
60.479 |
34.368 |
17.755 |
11 |
O52 |
O |
O11 |
N |
N |
N |
0 |
62.696 |
35.657 |
17.046 |
12 |
O53 |
O |
O12 |
N |
N |
N |
0 |
62.306 |
33.177 |
16.008 |
13 |
O54 |
O |
O13 |
N |
N |
N |
0 |
60.017 |
33.262 |
15.281 |
14 |
O61 |
O |
O14 |
N |
N |
N |
0 |
62.074 |
30.247 |
15.758 |
15 |
O62 |
O |
O15 |
N |
N |
N |
0 |
60.76 |
31.65 |
17.284 |
16 |
O63 |
O |
O16 |
N |
N |
N |
0 |
59.766 |
30.659 |
15.385 |
17 |
O71 |
O |
O17 |
N |
N |
N |
0 |
58.55 |
33.804 |
8.724 |
18 |
O81 |
O |
O18 |
N |
N |
N |
0 |
58.616 |
33.784 |
19.607 |
19 |
MO1 |
MO |
MO1 |
N |
N |
N |
0 |
61.638 |
34.866 |
12.944 |
20 |
MO2 |
MO |
MO2 |
N |
N |
N |
0 |
60.825 |
31.66 |
12.237 |
21 |
MO3 |
MO |
MO3 |
N |
N |
N |
0 |
61.292 |
34.717 |
16.175 |
22 |
MO4 |
MO |
MO4 |
N |
N |
N |
0 |
61.041 |
31.764 |
15.449 |
23 |
MO5 |
MO |
MO5 |
N |
N |
N |
0 |
58.55 |
33.804 |
10.824 |
24 |
MO6 |
MO |
MO6 |
N |
N |
N |
0 |
58.55 |
33.804 |
17.508 |
25 |
O37 |
O |
O19 |
N |
N |
N |
0 |
57.247 |
29.111 |
12.207 |
26 |
O38 |
O |
O20 |
N |
N |
N |
0 |
57.573 |
30.28 |
14.633 |
27 |
O3A |
O |
O21 |
N |
N |
N |
0 |
57.704 |
30.716 |
11.107 |
28 |
O3B |
O |
O22 |
N |
N |
N |
0 |
56.02 |
31.096 |
12.528 |
29 |
O3C |
O |
O23 |
N |
N |
N |
0 |
59.136 |
32.182 |
12.776 |
30 |
O44 |
O |
O24 |
N |
N |
N |
0 |
56.515 |
33.5 |
10.863 |
31 |
O45 |
O |
O25 |
N |
N |
N |
0 |
54.682 |
34.444 |
12.547 |
32 |
O46 |
O |
O26 |
N |
N |
N |
0 |
55.31 |
32.4 |
13.725 |
33 |
O55 |
O |
O27 |
N |
N |
N |
0 |
58.074 |
31.851 |
17.755 |
34 |
O56 |
O |
O28 |
N |
N |
N |
0 |
58.082 |
29.287 |
17.046 |
35 |
O57 |
O |
O29 |
N |
N |
N |
0 |
56.129 |
30.864 |
16.008 |
36 |
O58 |
O |
O30 |
N |
N |
N |
0 |
57.347 |
32.804 |
15.281 |
37 |
O64 |
O |
O31 |
N |
N |
N |
0 |
53.708 |
32.53 |
15.758 |
38 |
O65 |
O |
O32 |
N |
N |
N |
0 |
55.58 |
32.967 |
17.284 |
39 |
O66 |
O |
O33 |
N |
N |
N |
0 |
55.218 |
34.323 |
15.385 |
40 |
MO7 |
MO |
MO7 |
N |
N |
N |
0 |
57.926 |
30.598 |
12.944 |
41 |
MO8 |
MO |
MO8 |
N |
N |
N |
0 |
55.556 |
32.905 |
12.237 |
42 |
MO9 |
MO |
MO9 |
N |
N |
N |
0 |
57.97 |
30.972 |
16.175 |
43 |
MOA |
MO |
MO10 |
N |
N |
N |
0 |
55.538 |
32.666 |
15.449 |
44 |
O3D |
O |
O34 |
N |
N |
N |
0 |
55.137 |
37.279 |
12.207 |
45 |
O3E |
O |
O35 |
N |
N |
N |
0 |
55.987 |
36.412 |
14.633 |
46 |
O3G |
O |
O36 |
N |
N |
N |
0 |
56.299 |
36.08 |
11.107 |
47 |
O3H |
O |
O37 |
N |
N |
N |
0 |
57.47 |
37.349 |
12.528 |
48 |
O3I |
O |
O38 |
N |
N |
N |
0 |
56.852 |
34.107 |
12.776 |
49 |
O47 |
O |
O39 |
N |
N |
N |
0 |
59.304 |
35.718 |
10.863 |
50 |
O49 |
O |
O40 |
N |
N |
N |
0 |
58.954 |
37.312 |
13.725 |
51 |
O59 |
O |
O41 |
N |
N |
N |
0 |
57.097 |
35.193 |
17.755 |
52 |
O5A |
O |
O42 |
N |
N |
N |
0 |
54.872 |
36.468 |
17.046 |
53 |
O5B |
O |
O43 |
N |
N |
N |
0 |
57.215 |
37.37 |
16.008 |
54 |
O5C |
O |
O44 |
N |
N |
N |
0 |
58.286 |
35.346 |
15.281 |
55 |
O67 |
O |
O45 |
N |
N |
N |
0 |
59.868 |
38.634 |
15.758 |
56 |
O68 |
O |
O46 |
N |
N |
N |
0 |
59.31 |
36.794 |
17.284 |
57 |
O69 |
O |
O48 |
N |
N |
N |
0 |
60.666 |
36.43 |
15.385 |
58 |
MOD |
MO |
MO11 |
N |
N |
N |
0 |
56.086 |
35.947 |
12.944 |
59 |
MOE |
MO |
MO12 |
N |
N |
N |
0 |
59.269 |
36.846 |
12.237 |
60 |
MOF |
MO |
MO13 |
N |
N |
N |
0 |
56.388 |
35.722 |
16.175 |
61 |
MOG |
MO |
MO14 |
N |
N |
N |
0 |
59.071 |
36.981 |
15.449 |
62 |
H1 |
H |
H1 |
N |
N |
N |
0 |
63.903 |
35.216 |
12.884 |
63 |
H2 |
H |
H2 |
N |
N |
N |
0 |
60.764 |
34.434 |
10.807 |
64 |
H3 |
H |
H3 |
N |
N |
N |
0 |
62.474 |
35.783 |
17.961 |
65 |
H4 |
H |
H4 |
N |
N |
N |
0 |
62.062 |
30.039 |
16.685 |
66 |
H5 |
H |
H5 |
N |
N |
N |
0 |
60.33 |
32.44 |
17.589 |
67 |
H6 |
H |
H6 |
N |
N |
N |
0 |
59.436 |
33.936 |
8.407 |
68 |
H7 |
H |
H7 |
N |
N |
N |
0 |
59.274 |
33.163 |
19.898 |
69 |
H8 |
H |
H8 |
N |
N |
N |
0 |
57.096 |
28.462 |
12.884 |
70 |
H9 |
H |
H9 |
N |
N |
N |
0 |
57.989 |
31.571 |
10.807 |
71 |
H10 |
H |
H10 |
N |
N |
N |
0 |
58.302 |
29.417 |
17.961 |
72 |
H11 |
H |
H11 |
N |
N |
N |
0 |
53.534 |
32.644 |
16.685 |
73 |
H12 |
H |
H12 |
N |
N |
N |
0 |
56.479 |
32.938 |
17.59 |
74 |
H13 |
H |
H13 |
N |
N |
N |
0 |
54.651 |
37.734 |
12.884 |
75 |
H14 |
H |
H14 |
N |
N |
N |
0 |
56.897 |
35.405 |
10.807 |
76 |
H15 |
H |
H15 |
N |
N |
N |
0 |
54.874 |
36.212 |
17.961 |
77 |
H16 |
H |
H16 |
N |
N |
N |
0 |
60.054 |
38.728 |
16.685 |
78 |
H17 |
H |
H17 |
N |
N |
N |
0 |
58.84 |
36.027 |
17.588 |
GX2 : Chemical Bonds
Total Number of Bonds: 94
GX2 : Used in PDB Entries
Total Number of PDB Entries: 1
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
GX2 |
6h8h ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724109575874) |
Bound ligand
|
1 |
1 |
|