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

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ChEBI Name 1-deoxynojirimycin-1-sulfonic acid
ChEBI ID CHEBI:167649
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
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Formula C6H13NO7S
Net Charge 0
Average Mass 243.230
Monoisotopic Mass 243.04127
InChI InChI=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
InChIKey PLICPKOWHZITQE-DVKNGEFBSA-N
SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H](O)[C@@H]1O)S(O)(=O)=O
Roles Classification
Biological Role(s): EC 3.2.1.20 (alpha-glucosidase) inhibitor
An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20).
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ChEBI Ontology
Outgoing 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 Sources
(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinesulfonic acid ChEBI
nojirimycin 1-sulfonic acid ChEBI
Manual Xref Database
9303621 ChemSpider
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Registry Number Type Source
81703-56-2 CAS Registry Number PubChem
Citations Waiting for Citations Types Sources
17110502 PubMed citation SUBMITTER
21471980 PubMed citation Europe PMC
Last Modified
13 April 2021