Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:38:14 UTC
Update Date2024-10-13 12:31:26 UTC
Metabolite IDMMDBc0004795
Metabolite Identification
Common NameDeoxynojirimycin
DescriptionDuvoglustat, also known as moranolin or bay-H-5595, belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. Duvoglustat is a very strong basic compound (based on its pKa). An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.
Structure
Synonyms
ValueSource
(+)-1-DeoxynojirimycinChEBI
1,5-Deoxy-1,5-imino-D-mannitolChEBI
1,5-Dideoxy-1,5-imino-D-glucitolChEBI
1-DeoxymannojirimycinChEBI
1-DeoxynojirimycinChEBI
5-Amino-1,5-dideoxy-D-glucopyranoseChEBI
BAY-H-5595ChEBI
D-1-DeoxynojirimycinChEBI
DNJChEBI
MoranolinChEBI
MoranolineChEBI
1 DeoxymannojirimycinMeSH
1,5-Dideoxy-1,5-imino-D-mannitolMeSH
1-Deoxynojirimycin hydrochlorideMeSH
1 DeoxynojirimycinMeSH
1 Deoxynojirimycin hydrochlorideMeSH
Bay N 5595MeSH
Molecular FormulaC6H13NO4
Average Mass163.1717
Monoisotopic Mass163.084457909
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Traditional Name(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChI KeyLXBIFEVIBLOUGU-JGWLITMVSA-N