The Biofilms Structural Database
|
|
The Biofilms Structural Database |
GALBG0 |
|
|---|---|
3ZYH |
|
Code
G0S | |
|
Name |
3-(beta-D-galactopyranosylthio)propanoic acid |
|
Molecular Weight |
268.28 |
|
Isomeric SMILES |
OC[C@H]1O[C@@H](SCCC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |
|
Formula |
C9H16O7S |
|
Identifiers |
3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylpropanoic acid |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1 |
|
Atom Count |
33 |
|
InChIKey |
XMQYQVUZHDCFEM-MRCFXUCSSA-N |
|
PDB codes |
3ZYH |
|
Type |
non-polymer |
|
Chiral Atom Count |
5 |
|
Chiral Atoms |
C1, C2, C3, C4, C5 |
|
Bond Count |
33 |
|
Aromatic Bond Count |
0 |
|
Leaving Atoms |
OXT |