![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
7MT : Summary
Code ![](/pdbe/static/images/help.png)
|
7MT
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
Tb-Xo4
|
Systematic names ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Formula ![](/pdbe/static/images/help.png)
|
C20 H23 N5 O4 Tb
|
Formal charge ![](/pdbe/static/images/help.png)
|
5
|
Molecular weight ![](/pdbe/static/images/help.png)
|
556.353 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9 |
Canonical SMILES
|
CACTVS |
3.385 |
O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+7/p-2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JWLMJALAUZUFRC-UHFFFAOYSA-L |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
53 (30 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)
|
2016-11-21
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-05-23
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|