![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
AZF : Summary
Code ![](/pdbe/static/images/help.png)
|
AZF
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
AZAFAGOMINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C5 H12 N2 O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
148.16 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
OC1C(NNCC1O)CO |
SMILES
|
CACTVS |
3.341 |
OC[CH]1NNC[CH](O)[CH]1O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1C(C(C(NN1)CO)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@H]1NNC[C@@H](O)[C@@H]1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1[C@H]([C@@H]([C@H](NN1)CO)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PPPMSBCQTLJPKM-UOWFLXDJSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
22 (10 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)
|
2006-10-08
|
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
|
|