![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
ME9 : Summary
Code ![](/pdbe/static/images/help.png)
|
ME9
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H12 N2 O4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
248.235 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
SMILES
|
CACTVS |
3.370 |
O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O |
Canonical SMILES
|
CACTVS |
3.370 |
O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WXXSHAKLDCERGU-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
30 (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)
|
2011-03-04
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|