![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
5FW : Summary
Code ![](/pdbe/static/images/help.png)
|
5FW
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
ISOPRENALINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C11 H17 N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
211.258 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.352 |
CC(C)NC[CH](O)c1ccc(O)c(O)c1 |
SMILES
|
OpenEye OEToolkits |
1.6.1 |
CC(C)NCC(c1ccc(c(c1)O)O)O |
Canonical SMILES
|
CACTVS |
3.352 |
CC(C)NC[C@H](O)c1ccc(O)c(O)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.6.1 |
CC(C)NC[C@@H](c1ccc(c(c1)O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JWZZKOKVBUJMES-NSHDSACASA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
32 (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)
|
2010-11-30
|
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
|
|