![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
ID2 : Summary
Code ![](/pdbe/static/images/help.png)
|
ID2
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
5-IODODEOXYURIDINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H11 I N2 O5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
354.099 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO |
SMILES
|
CACTVS |
3.341 |
OC[CH]1O[CH](C[CH]1O)N2C=C(I)C(=O)NC2=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(I)C(=O)NC2=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XQFRJNBWHJMXHO-RRKCRQDMSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (17 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)
|
1999-07-08
|
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
|
|