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CHEBI:44369 - duvoglustat

Default Structure
ChEBI IDCHEBI:44369
ChEBI Nameduvoglustat
Stars
DefinitionAn optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.
Secondary ChEBI IDsCHEBI:76525, CHEBI:132398, CHEBI:132867
Last Modified13 April 2021
Submitterliuqingping, Steve
DownloadsMolfile
FormulaC6H13NO4
Net Charge0
Average Mass163.173
Monoisotopic Mass163.08446
SMILESOC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyLXBIFEVIBLOUGU-JGWLITMVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bacillus amyloliquefaciens (ncbitaxon:1390) - PubMed (23265519)
Bacillus subtilis (ncbitaxon:1423) - PubMed (23265519)
Moraceae (ncbitaxon:3487) - PubMed (23909841)
Morus alba (ncbitaxon:3498) latex (BTO:0000710) PubMed (27294120)
Roles Classification
Biological Roles:
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).
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
anti-obesity agent  Any substance which is used to reduce or control weight.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
duvoglustat (CHEBI:44369) has role anti-HIV agent (CHEBI:64946)
duvoglustat (CHEBI:44369) has role anti-obesity agent (CHEBI:74518)
duvoglustat (CHEBI:44369) has role bacterial metabolite (CHEBI:76969)
duvoglustat (CHEBI:44369) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
duvoglustat (CHEBI:44369) has role hepatoprotective agent (CHEBI:62868)
duvoglustat (CHEBI:44369) has role hypoglycemic agent (CHEBI:35526)
duvoglustat (CHEBI:44369) has role plant metabolite (CHEBI:76924)
duvoglustat (CHEBI:44369) is a 2-(hydroxymethyl)piperidine-3,4,5-triol (CHEBI:72490)
duvoglustat (CHEBI:44369) is a piperidine alkaloid (CHEBI:26147)
Incoming Relation(s)
N-ethyl-1-deoxynojirimycin (CHEBI:167666) has functional parent duvoglustat (CHEBI:44369)
N-methyl-1-deoxynojirimycin (CHEBI:166564) has functional parent duvoglustat (CHEBI:44369)
N-nonyldeoxynojirimycin (CHEBI:76399) has functional parent duvoglustat (CHEBI:44369)
1-deoxynojirimycin-1-sulfonic acid (CHEBI:167649) has functional parent duvoglustat (CHEBI:44369)
4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) has functional parent duvoglustat (CHEBI:44369)
miglustat (CHEBI:50381) has functional parent duvoglustat (CHEBI:44369)
IUPAC Name 
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
INN  Source
duvoglustatKEGG DRUG
Synonyms  Source
1,5-deoxy-1,5-imino-D-mannitolDrugBank
1,5-dideoxy-1,5-imino-ChEMBL
1,5-dideoxy-1,5-imino-D-glucitolDrugBank
1-DeoxymannojirimycinDrugBank
1 deoxynojirimycinChEMBL
(+)-1-DeoxynojirimycinKNApSAcK
Manual XrefsDatabases
1-DeoxynojirimycinWikipedia
1-DEOXYNOJIRIMYCINMetaCyc
C00029420KNApSAcK
C16843KEGG COMPOUND
D09605KEGG DRUG
DB03206DrugBank
HMDB0035359HMDB
NOJPDBeChem
Registry NumbersSources
Reaxys:1524395Reaxys
CAS:19130-96-2KEGG COMPOUND
CAS:19130-96-2ChemIDplus
Citations