The Biofilms Structural Database
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
Aromatic Bond Count
Leaving Atoms
OXT