![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
KGH : Summary
Code ![](/pdbe/static/images/help.png)
|
KGH
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C7 H15 N O5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
193.198 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(C1C(C(C(C(C1O)O)O)O)N)O |
Canonical SMILES
|
CACTVS |
3.385 |
N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SWVTZDDSAFUTKS-BJUQCWQQSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (13 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)
|
2019-05-21
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-07-03
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|