![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
GT3 : Summary
Code ![](/pdbe/static/images/help.png)
|
GT3
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C11 H16 N6 O4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
296.283 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@@H](O)[C@@H](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H16N6O4/c1-5(19)6(3-18)14-7(20)2-17-4-13-8-9(17)15-11(12)16-10(8)21/h4-6,18-19H,2-3H2,1H3,(H,14,20)(H3,12,15,16,21)/t5-,6-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ASZZNRVPFUUWEN-PHDIDXHHSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
37 (21 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)
|
2020-04-03
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-11-20
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|