CHEBI:67115 - ecgonone methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ecgonone methyl ester
Definition The methyl ester of (1R,2R,5S)-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.
Supplier Information
Download Molfile XML SDF
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
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 (Bronsted 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)
methyl (1R,2R,5S)-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