MBG

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Summary

Name:methyl beta-D-galactopyranoside
Synonyms:METHYL-BETA-GALACTOSE
methyl beta-D-galactoside; methyl D-galactoside; methyl galactoside
Formula:C7 H14 O6
Formal charge:0
Molecular weight:194.182 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl beta-D-galactopyranoside
OpenEye OEToolkits1.5.0(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
GMML1.0DGalp[1Me]b
GMML1.01-methyl-b-D-galactopyranose
PDB-CARE1.0b-methyl-galactoside

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC1C(O)C(O)C(OC1OC)CO
SMILES_CANONICALCACTVS3.341CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0COC1C(C(C(C(O1)CO)O)O)O
InChIInChI1.03InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
InChIKeyInChI1.03HOVAGTYPODGVJG-VOQCIKJUSA-N
167132
PDB entries from 2020-07-29