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CHEBI:167649 - 1-deoxynojirimycin-1-sulfonic acid

ChEBI IDCHEBI:167649
ChEBI Name1-deoxynojirimycin-1-sulfonic acid
Stars
DefinitionA hydroxypiperidine that is duvoglustat carrying a sulfo group at position 6β. It is an α-glucosidase inhibitor and an activator of the human glucose sensor SGLT3.
Last Modified13 April 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC6H13NO7S
Net Charge0
Average Mass243.237
Monoisotopic Mass243.04127
SMILESO=S(=O)(O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyPLICPKOWHZITQE-DVKNGEFBSA-N
Roles Classification
Biological Role:
EC 3.2.1.20 (alpha-glucosidase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20).
ChEBI Ontology
Outgoing Relation(s)
1-deoxynojirimycin-1-sulfonic acid (CHEBI:167649) has functional parent duvoglustat (CHEBI:44369)
1-deoxynojirimycin-1-sulfonic acid (CHEBI:167649) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
1-deoxynojirimycin-1-sulfonic acid (CHEBI:167649) is a hydroxypiperidine (CHEBI:48590)
1-deoxynojirimycin-1-sulfonic acid (CHEBI:167649) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid
Synonyms  Source
nojirimycin 1-sulfonic acidChEBI
(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinesulfonic acidChEBI
Manual XrefsDatabases
9303621ChemSpider
Registry NumbersSources
CAS:81703-56-2PubChem Compound
Citations