![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
SKZ : Summary
Code ![](/pdbe/static/images/help.png)
|
SKZ
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
[2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-
(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C16 H22 Fe N4 O9
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
470.212 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C3O[Fe]5124O/C(=C)N(O1)CCCNC(=O)CC3(O2)CC(=O)NCCCN(O4)C(\O5)=C |
SMILES
|
CACTVS |
3.370 |
C=C1O[Fe]2345O[N]1CCCNC(=O)CC(CC(=O)NCCC[N](O2)C(=C)O3)(O4)C(=O)O5 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O |
Canonical SMILES
|
CACTVS |
3.370 |
C=C1O[Fe]2345O[N@@]1CCCNC(=O)CC(CC(=O)NCCC[N@@](O2)C(=C)O3)(O4)C(=O)O5 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H25N4O9.Fe/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22;/h21-22H,1-10H2,(H,17,23)(H,18,24)(H,25,26);/q-3;+6/p-3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KGGQZTFRTARRPX-UHFFFAOYSA-K |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
52 (30 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)
|
2011-09-17
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|