CHEBI:76399 - N-nonyldeoxynojirimycin

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ChEBI Name N-nonyldeoxynojirimycin
ChEBI ID CHEBI:76399
ChEBI ASCII Name N-nonyldeoxynojirimycin
Definition A hydroxypiperidine that is deoxynojirimycin (duvoglustat) in which the amino hydrogen is replaced by a nonyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Supplier Information
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Formula C15H31NO4
Net Charge 0
Average Mass 289.416
Monoisotopic Mass 289.22531
InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKey FTSCEGKYKXESFF-LXTVHRRPSA-N
SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 3.2.1.45 (glucosylceramidase) inhibitor
An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of glucosylceramidase (EC 3.2.1.45).
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).
antiviral agent
A substance that destroys or inhibits replication of viruses.
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ChEBI Ontology
Outgoing N-nonyldeoxynojirimycin (CHEBI:76399) has functional parent duvoglustat (CHEBI:44369)
N-nonyldeoxynojirimycin (CHEBI:76399) has role antiviral agent (CHEBI:22587)
N-nonyldeoxynojirimycin (CHEBI:76399) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
N-nonyldeoxynojirimycin (CHEBI:76399) has role EC 3.2.1.45 (glucosylceramidase) inhibitor (CHEBI:67230)
N-nonyldeoxynojirimycin (CHEBI:76399) is a hydroxypiperidine (CHEBI:48590)
N-nonyldeoxynojirimycin (CHEBI:76399) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
Synonym Source
NN-DNJ SUBMITTER
Manual Xrefs Databases
EP1171128 Patent
EP1171129 Patent
NND PDBeChem
US2002115667 Patent
US2002142985 Patent
US2005075305 Patent
US6683076 Patent
US7348000 Patent
WO0062779 Patent
WO0062780 Patent
View more database links
Registry Numbers Types Sources
6859812 Reaxys Registry Number Reaxys
81117-35-3 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
14757169 PubMed citation Europe PMC
17666401 PubMed citation Europe PMC
Last Modified
13 April 2021