pseudopelletierine (CHEBI:8607)

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ChEBI Name	pseudopelletierine

ChEBI ID	CHEBI:8607

Definition	An azabicycloalkane alkaloid that is 9-azabicyclo[3.3.1]nonane substituted by a methyl group at position 9 and an oxo group at position 3. It is found in pomegranate trees.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H15NO

Net Charge

Average Mass

153.22150

Monoisotopic Mass

153.11536

InChI

InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+

InChIKey

RHWSKVCZXBAWLZ-OCAPTIKFSA-N

SMILES

CN1[C@H]2CCC[C@@H]1CC(=O)C2

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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	pseudopelletierine (CHEBI:8607) has role plant metabolite (CHEBI:76924) pseudopelletierine (CHEBI:8607) is a alkaloid (CHEBI:22315) pseudopelletierine (CHEBI:8607) is a azabicycloalkane (CHEBI:38295) pseudopelletierine (CHEBI:8607) is a cyclic ketone (CHEBI:3992) pseudopelletierine (CHEBI:8607) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

9-methyl-9-azabicyclo[3.3.1]nonan-3-one

Last Modified

24 February 2016