![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
LUM : Summary
Code ![](/pdbe/static/images/help.png)
|
LUM
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
LUMICHROME
|
Synonyms ![](/pdbe/static/images/help.png)
|
7,8-DIMETHYLALLOXAZINE
6,7-DIMETHYLALLOXAZINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H10 N4 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
242.233 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C |
SMILES
|
CACTVS |
3.341 |
Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 |
Canonical SMILES
|
CACTVS |
3.341 |
Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZJTJUVIJVLLGSP-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (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)
|
2000-11-20
|
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
|
|