SEQ2FUN

BioLiP

PDB CCD ID: TGA
Number of entries in BioLiP: 2
Chemical formula: C8 H16 O6 S
InChI: InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
InChIKey: HUYFGRHVKQZODJ-DWOUCZDBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.352OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1C(CS)OC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.352OC[C@H]1O[C@@H](OCCS)[C@H](O)[C@@H](O)[C@H]1O
Name:2-sulfanylethyl beta-D-galactopyranoside;
METHANETHIOSULFONYL-GALACTOSIDE;
2-sulfanylethyl beta-D-galactoside;
2-sulfanylethyl D-galactoside;
2-sulfanylethyl galactoside
ZINC: ZINC000044169189
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).