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ChEBI
> Main
CHEBI:67115 - ecgonone methyl ester
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ChEBI Ontology
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ChEBI Name
ecgonone methyl ester
ChEBI ID
CHEBI:67115
Definition
The methyl ester of (1
R
,2
R
,5
S
)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid (ecgonone).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H15NO3
Net Charge
0
Average Mass
197.23100
Monoisotopic Mass
197.10519
InChI
InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6-,7+,9+/m0/s1
InChIKey
WXEMSGQRTGSYOG-LKEWCRSYSA-N
SMILES
[H][C@]12CC[C@]([H])([C@H](C(=O)C1)C(=O)OC)N2C
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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ecgonone methyl ester (
CHEBI:67115
)
is a
cyclic ketone (
CHEBI:3992
)
ecgonone methyl ester (
CHEBI:67115
)
is a
methyl ester (
CHEBI:25248
)
ecgonone methyl ester (
CHEBI:67115
)
is a
organic heterobicyclic compound (
CHEBI:27171
)
ecgonone methyl ester (
CHEBI:67115
)
is a
tertiary amino compound (
CHEBI:50996
)
ecgonone methyl ester (
CHEBI:67115
)
is a
tropane alkaloid (
CHEBI:37332
)
ecgonone methyl ester (
CHEBI:67115
)
is conjugate base of
ecgononium methyl ester(1+) (
CHEBI:66941
)
Incoming
ecgononium methyl ester(1+) (
CHEBI:66941
)
is conjugate acid of
ecgonone methyl ester (
CHEBI:67115
)
IUPAC Name
methyl (1
R
,2
R
,5
S
)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
Registry Number
Type
Source
7204103
Reaxys Registry Number
Reaxys
Last Modified
30 March 2015