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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76399 -
N
-nonyldeoxynojirimycin
Main
ChEBI Ontology
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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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Molfile
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Molfile
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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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
(2
R
,3
R
,4
R
,5
S
)-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
Types
Sources
14757169
PubMed citation
Europe PMC
17666401
PubMed citation
Europe PMC
Last Modified
13 April 2021