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Z4R

Summary
Name:methyl 3-thio-alpha-D-mannopyranoside
Formula:C7 H14 O5 S
Formal charge:0
Formula weight:210.248 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl 3-thio-alpha-D-mannopyranoside
OpenEye OEToolkits1.7.6(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-sulfanyl-oxane-3,5-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(S)C(O)C(OC1OC)CO
InChIInChI1.03InChI=1S/C7H14O5S/c1-11-7-5(10)6(13)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyInChI1.03ZMNMYNJXAVTLBM-VEIUFWFVSA-N
SMILES_CANONICALCACTVS3.370CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](S)[C@@H]1O
SMILESCACTVS3.370CO[CH]1O[CH](CO)[CH](O)[CH](S)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O
SMILESOpenEye OEToolkits1.7.6COC1C(C(C(C(O1)CO)O)S)O

221051

PDB entries from 2024-06-12

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