Obsolete: MLB

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Summary

Name:6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose
Synonyms:melibiose
Formula:C12 H22 O11
Formal charge:0
Molecular weight:342.296 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose
OpenEye OEToolkits1.7.0(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
SMILES_CANONICALCACTVS3.370OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.370OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.0C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChIInChI1.03InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1
InChIKeyInChI1.03DLRVVLDZNNYCBX-CQHUIXDMSA-N
171588
PDB entries from 2020-11-25