![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
WO1 : Summary
Code ![](/pdbe/static/images/help.png)
|
WO1
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C11 H15 N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
209.242 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c2cc(C(=O)OC1CCCN(C)C1)oc2 |
SMILES
|
CACTVS |
3.385 |
CN1CCC[CH](C1)OC(=O)c2occc2 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1CCCC(C1)OC(=O)c2ccco2 |
Canonical SMILES
|
CACTVS |
3.385 |
CN1CCC[C@H](C1)OC(=O)c2occc2 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1CCC[C@H](C1)OC(=O)c2ccco2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KTNFUDPJGVBBNF-SECBINFHSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
30 (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)
|
2020-10-30
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-11-06
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|