![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
RIN : Summary
Code ![](/pdbe/static/images/help.png)
|
RIN
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
3-AMINO-AZACYCLOTRIDECAN-2-ONE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H24 N2 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
212.332 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1NCCCCCCCCCCC1N |
SMILES
|
CACTVS |
3.341 |
N[CH]1CCCCCCCCCCNC1=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1CCCCCNC(=O)C(CCCC1)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@H]1CCCCCCCCCCNC1=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1CCCCCNC(=O)[C@H](CCCC1)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CQZLEYBEPASILI-NSHDSACASA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
39 (15 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)
|
1999-07-08
|
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
|
|