![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MZR : Summary
Code ![](/pdbe/static/images/help.png)
|
MZR
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H13 N3 O6
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
259.216 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N |
SMILES
|
CACTVS |
3.370 |
NC(=O)c1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
c1nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N |
Canonical SMILES
|
CACTVS |
3.370 |
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HZQDCMWJEBCWBR-UUOKFMHZSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
31 (18 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2011-07-12
|
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
|
|