![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
WDL : Summary
Code ![](/pdbe/static/images/help.png)
|
WDL
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
1,3,5-triazine-2,4,6-triol
|
Synonyms ![](/pdbe/static/images/help.png)
|
Cyanuric Acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C3 H3 N3 O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
129.074 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
Oc1nc(O)nc(O)n1 |
SMILES
|
CACTVS |
3.385 |
Oc1nc(O)nc(O)n1 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1(nc(nc(n1)O)O)O |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1nc(O)nc(O)n1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1(nc(nc(n1)O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZFSLODLOARCGLH-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
12 (9 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)
|
2012-12-19
|
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
|
|