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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:86380 - amorolfine(1+)
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ChEBI Ontology
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ChEBI Name
amorolfine(1+)
ChEBI ID
CHEBI:86380
Definition
An ammonium ion resulting from the protonation of the nitrogen of amorolfine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H36NO
Net Charge
+1
Average Mass
318.51610
Monoisotopic Mass
318.27914
InChI
InChI=1S/C21H35NO/c1-
7-
21(5,6)
20-
10-
8-
19(9-
11-
20)
12-
16(2)
13-
22-
14-
17(3)
23-
18(4)
15-
22/h8-
11,16-
18H,7,12-
15H2,1-
6H3/p+1/t16?,17-
,18+
InChIKey
MQHLMHIZUIDKOO-AYHJJNSGSA-O
SMILES
CCC(C)(C)c1ccc(CC(C)C[NH+]2C[C@H](C)O[C@H](C)C2)cc1
Roles Classification
Biological Role
(s):
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
An EC 5.3.3.* (intramolecular oxidase transposing C
2
C bonds) inhibitor that interferes with the action of a cholestenol
Delta
-isomerase (EC 5.3.3.5).
EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor
An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD
+
or NADP
+
as acceptor) inhibitor that interferes with the action of
Delta
14
-sterol reductase (EC 1.3.1.70).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
amorolfine(1+) (
CHEBI:86380
)
has role
EC 1.3.1.70 (Δ
14
-sterol reductase) inhibitor (
CHEBI:83319
)
amorolfine(1+) (
CHEBI:86380
)
has role
EC 5.3.3.5 (cholestenol Δ-isomerase) inhibitor (
CHEBI:86385
)
amorolfine(1+) (
CHEBI:86380
)
is a
ammonium ion derivative (
CHEBI:35274
)
amorolfine(1+) (
CHEBI:86380
)
is conjugate base of
amorolfine (
CHEBI:599440
)
Incoming
amorolfine hydrochloride (
CHEBI:59649
)
has part
amorolfine(1+) (
CHEBI:86380
)
amorolfine (
CHEBI:599440
)
is conjugate acid of
amorolfine(1+) (
CHEBI:86380
)
IUPAC Name
rac
-
(2
R
,6
S
)-
2,6-
dimethyl-
4-
{2-
methyl-
3-
[4-
(2-
methylbutan-
2-
yl)phenyl]propyl}morpholin-
4-
ium
Last Modified
09 July 2015