The Biofilms Structural Database
|
|
The Biofilms Structural Database |
NPG |
|
|---|---|
3ZYF |
|
Code
147 | |
|
Name |
1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE |
|
Molecular Weight |
301.25 |
|
Isomeric SMILES |
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O |
|
Formula |
C12H15NO8 |
|
Identifiers |
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1 |
|
Atom Count |
36 |
|
InChIKey |
IFBHRQDFSNCLOZ-YBXAARCKSA-N |
|
PDB codes |
3ZYF |
|
Type |
D-SACCHARIDE |
|
Chiral Atom Count |
5 |
|
Chiral Atoms |
C1, C2, C3, C4, C5 |
|
Bond Count |
37 |
|
Aromatic Bond Count |
6 |
|
Leaving Atoms |
n/a |