Chemical Components in the PDB

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TGA : Summary

Code

TGA

One-letter code

X

Molecule name

2-sulfanylethyl beta-D-galactopyranoside

Synonyms

METHANETHIOSULFONYL-GALACTOSIDE
2-sulfanylethyl beta-D-galactoside
2-sulfanylethyl D-galactoside
2-sulfanylethyl galactoside

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

Formula

C8 H16 O6 S

Formal charge

0

Molecular weight

240.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.6.1 C(CS)OC1C(C(C(C(O1)CO)O)O)O
Canonical SMILES CACTVS 3.352 OC[C@H]1O[C@@H](OCCS)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.6.1 C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

IUPAC 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

IUPAC InChI key

HUYFGRHVKQZODJ-DWOUCZDBSA-N
TGA

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

GAL

Defined at

2011-01-19

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned