![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MDV : Summary
Code ![](/pdbe/static/images/help.png)
|
MDV
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H16 N5 O8 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
389.258 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(O)OCC4OC(n3cnc2c3N=CN1C2=NC(O)C1O)CC4O |
SMILES
|
CACTVS |
3.370 |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2N=CN4[CH](O)[CH](O)N=C34 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN4C2=NC(C4O)O |
Canonical SMILES
|
CACTVS |
3.370 |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c2N=CN4[C@@H](O)[C@H](O)N=C34 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H16N5O8P/c18-5-1-7(25-6(5)2-24-26(21,22)23)16-3-13-8-9(16)14-4-17-10(8)15-11(19)12(17)20/h3-7,11-12,18-20H,1-2H2,(H2,21,22,23)/t5-,6+,7+,11-,12-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MMGFTCXHWADSBK-BJMSXLCZSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
42 (26 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)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2010-07-23
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|