![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
D3Z : Summary
Code ![](/pdbe/static/images/help.png)
|
D3Z
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
1-(5-deoxy-beta-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H12 N2 O5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
228.202 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)C |
SMILES
|
CACTVS |
3.341 |
C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
C[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7-,8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WUBAOANSQGKRHF-UCVXFZOQSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (16 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)
|
2008-05-14
|
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
|
|