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YIO

Summary
Name:1-thio-beta-D-galactopyranose
Synonyms:(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL
1-thio-beta-D-galactose; 1-thio-D-galactose; 1-thio-galactose
Formula:C6 H12 O5 S
Formal charge:0
Formula weight:196.221 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
PDB-CARE1.0b-D-Galp1SH

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.352OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.6.1C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
SMILESOpenEye OEToolkits1.6.1C(C1C(C(C(C(O1)S)O)O)O)O
InChIInChI1.03InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyInChI1.03JUSMHIGDXPKSID-PHYPRBDBSA-N

221051

PDB entries from 2024-06-12

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