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3GP : Summary
Code ![](/pdbe/static/images/help.png)
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3GP
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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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GUANOSINE-3'-MONOPHOSPHATE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H14 N5 O8 P
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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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363.221 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO |
SMILES
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CACTVS |
3.341 |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N |
Canonical SMILES
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CACTVS |
3.341 |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@H]3O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZDPUTNZENXVHJC-UUOKFMHZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (24 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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3GP : Atoms of Molecule
Total Number of Atoms: 38
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
P |
P |
P |
N |
N |
N |
0 |
1.075 |
0.411 |
4.147 |
2 |
O1P |
O |
O1P |
N |
N |
N |
0 |
-0.2 |
0.586 |
4.877 |
3 |
O2P |
O |
O2P |
N |
N |
N |
0 |
2.176 |
-0.224 |
5.134 |
4 |
O3P |
O |
O3P |
N |
N |
N |
0 |
1.591 |
1.841 |
3.616 |
5 |
O5' |
O |
O5* |
N |
N |
N |
0 |
-3.623 |
-1.309 |
2.616 |
6 |
C5' |
C |
C5* |
N |
N |
N |
0 |
-2.479 |
-0.484 |
2.845 |
7 |
C4' |
C |
C4* |
R |
N |
N |
0 |
-1.359 |
-0.887 |
1.885 |
8 |
O4' |
O |
O4* |
N |
N |
N |
0 |
-1.776 |
-0.695 |
0.516 |
9 |
C3' |
C |
C3* |
S |
N |
N |
0 |
-0.137 |
0.041 |
2.059 |
10 |
O3' |
O |
O3* |
N |
N |
N |
0 |
0.844 |
-0.574 |
2.894 |
11 |
C2' |
C |
C2* |
R |
N |
N |
0 |
0.407 |
0.22 |
0.622 |
12 |
O2' |
O |
O2* |
N |
N |
N |
0 |
1.743 |
-0.276 |
0.528 |
13 |
C1' |
C |
C1* |
R |
N |
N |
0 |
-0.553 |
-0.619 |
-0.247 |
14 |
N9 |
N |
N9 |
N |
Y |
N |
0 |
-0.793 |
0.047 |
-1.53 |
15 |
C8 |
C |
C8 |
N |
Y |
N |
0 |
-1.767 |
0.966 |
-1.792 |
16 |
N7 |
N |
N7 |
N |
Y |
N |
0 |
-1.69 |
1.348 |
-3.033 |
17 |
C5 |
C |
C5 |
N |
Y |
N |
0 |
-0.666 |
0.7 |
-3.64 |
18 |
C6 |
C |
C6 |
N |
N |
N |
0 |
-0.127 |
0.715 |
-4.948 |
19 |
O6 |
O |
O6 |
N |
N |
N |
0 |
-0.605 |
1.431 |
-5.812 |
20 |
N1 |
N |
N1 |
N |
N |
N |
0 |
0.932 |
-0.078 |
-5.214 |
21 |
C2 |
C |
C2 |
N |
N |
N |
0 |
1.454 |
-0.879 |
-4.242 |
22 |
N2 |
N |
N2 |
N |
N |
N |
0 |
2.528 |
-1.679 |
-4.543 |
23 |
N3 |
N |
N3 |
N |
N |
N |
0 |
0.963 |
-0.902 |
-3.023 |
24 |
C4 |
C |
C4 |
N |
Y |
N |
0 |
-0.082 |
-0.138 |
-2.684 |
25 |
HOP2 |
H |
2HOP |
N |
N |
N |
0 |
2.283 |
0.395 |
5.869 |
26 |
HOP3 |
H |
3HOP |
N |
N |
N |
0 |
2.421 |
1.682 |
3.147 |
27 |
HO5' |
H |
*HO5 |
N |
N |
N |
0 |
-4.304 |
-1.023 |
3.24 |
28 |
H5'1 |
H |
1H5* |
N |
N |
N |
0 |
-2.14 |
-0.611 |
3.873 |
29 |
H5'2 |
H |
2H5* |
N |
N |
N |
0 |
-2.744 |
0.559 |
2.676 |
30 |
H4' |
H |
H4* |
N |
N |
N |
0 |
-1.072 |
-1.926 |
2.051 |
31 |
H3' |
H |
H3* |
N |
N |
N |
0 |
-0.443 |
1.001 |
2.475 |
32 |
H2' |
H |
H2* |
N |
N |
N |
0 |
0.369 |
1.269 |
0.328 |
33 |
HO2' |
H |
*HO2 |
N |
N |
N |
0 |
2.029 |
-0.138 |
-0.385 |
34 |
H1' |
H |
H1* |
N |
N |
N |
0 |
-0.144 |
-1.616 |
-0.409 |
35 |
H8 |
H |
H8 |
N |
N |
N |
0 |
-2.493 |
1.323 |
-1.076 |
36 |
HN1 |
H |
HN1 |
N |
N |
N |
0 |
1.319 |
-0.085 |
-6.104 |
37 |
HN21 |
H |
1HN2 |
N |
N |
N |
0 |
2.913 |
-2.251 |
-3.861 |
38 |
HN22 |
H |
2HN2 |
N |
N |
N |
0 |
2.899 |
-1.676 |
-5.439 |
3GP : Chemical Bonds
Total Number of Bonds: 40
3GP : Used in PDB Entries
Total Number of PDB Entries: 22
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