![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
2PR : Summary
Code ![](/pdbe/static/images/help.png)
|
2PR
|
One-letter code ![](/pdbe/static/images/help.png)
|
G
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H14 N5 O6 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
331.222 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O |
SMILES
|
CACTVS |
3.341 |
Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XLBUIHNMZIQVTK-XLPZGREQSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
36 (22 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Deoxy ribonucleotide
|
Type description ![](/pdbe/static/images/help.png)
|
DNA LINKING
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMN
|
Is modified ![](/pdbe/static/images/help.png)
|
Yes
|
Standard parent ![](/pdbe/static/images/help.png)
|
DG
|
Defined at ![](/pdbe/static/images/help.png)
|
2000-07-14
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|