![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
QMP : Summary
Code ![](/pdbe/static/images/help.png)
|
QMP
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
cyclohexyl methylphosphonate
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C7 H15 O3 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
178.166 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(OC1CCCCC1)C |
SMILES
|
CACTVS |
3.370 |
C[P](O)(=O)OC1CCCCC1 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CP(=O)(O)OC1CCCCC1 |
Canonical SMILES
|
CACTVS |
3.370 |
C[P](O)(=O)OC1CCCCC1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CP(=O)(O)OC1CCCCC1 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SWYGLBJVTQMYSE-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
26 (11 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)
|
2011-11-23
|
Last modified at ![](/pdbe/static/images/help.png)
|
2012-07-27
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|