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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50381 - miglustat
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ChEBI Name
miglustat
ChEBI ID
CHEBI:50381
Definition
A hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H21NO4
Net Charge
0
Average Mass
219.27808
Monoisotopic Mass
219.14706
InChI
InChI=1S/C10H21NO4/c1-
2-
3-
4-
11-
5-
8(13)
10(15)
9(14)
7(11)
6-
12/h7-
10,12-
15H,2-
6H2,1H3/t7-
,8+,9-
,10-
/m1/s1
InChIKey
UQRORFVVSGFNRO-UTINFBMNSA-N
SMILES
CCCCN1C[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 2.4.1.80 (ceramide glucosyltransferase) inhibitor
An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the activity of ceramide glucosyltransferase (EC 2.4.1.80).
anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
miglustat (
CHEBI:50381
)
has functional parent
duvoglustat (
CHEBI:44369
)
miglustat (
CHEBI:50381
)
has role
anti-HIV agent (
CHEBI:64946
)
miglustat (
CHEBI:50381
)
has role
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor (
CHEBI:50382
)
miglustat (
CHEBI:50381
)
is a
piperidines (
CHEBI:26151
)
miglustat (
CHEBI:50381
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
(2
R
,3
R
,4
R
,5
S
)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
INNs
Sources
miglustat
ChEBI
miglustatum
ChEBI
Synonyms
Sources
BuDNJ
ChemIDplus
Butyldeoxynojirimycin
ChemIDplus
N-(n-Butyl)deoxynojirimycin
ChemIDplus
n-Butyl deoxynojirimycin
ChemIDplus
N-butyl-1-deoxynojirimycin
ChemIDplus
N-Butylmoranoline
ChemIDplus
NB-DNJ
ChemIDplus
SC-48334
ChemIDplus
Brand Name
Source
Zavesca
DrugBank
Manual Xrefs
Databases
1807
DrugCentral
D05032
KEGG DRUG
DB00419
DrugBank
View more database links
Registry Numbers
Types
Sources
5862029
Beilstein Registry Number
Beilstein
72599-27-0
CAS Registry Number
ChemIDplus
Last Modified
22 February 2017