![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
DSB : Summary
Code ![](/pdbe/static/images/help.png)
|
DSB
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4,7-DIOXOSEBACIC ACID
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H14 O6
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
230.215 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(CCC(=O)CCC(=O)O)CCC(=O)O |
SMILES
|
CACTVS |
3.341 |
OC(=O)CCC(=O)CCC(=O)CCC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)CCC(=O)CCC(=O)CCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DUAWJQCMZICMIK-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
30 (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)
|
2001-03-19
|
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
|
|