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CHEBI:146237 - dehydrosecodine(1+)

ChEBI IDCHEBI:146237
ChEBI Namedehydrosecodine(1+)
Stars
DefinitionA tertiary ammonium ion result from the protonation of the tertiary amino group of dehydrosecodine (the enamine form). An intermediate in the biosynthesis of aspidosperma and iboga alkaloids.
Last Modified10 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O2
Net Charge+1
Average Mass337.443
Monoisotopic Mass337.19105
SMILESC=C(C(=O)OC)c1nc2ccccc2c1CC[NH+]1C=C(CC)C=CC1
InChIInChI=1S/C21H24N2O2/c1-4-16-8-7-12-23(14-16)13-11-18-17-9-5-6-10-19(17)22-20(18)15(2)21(24)25-3/h5-10,14,22H,2,4,11-13H2,1,3H3/p+1
InChIKeyFGHJSNGBTCVANJ-UHFFFAOYSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
dehydrosecodine(1+) (CHEBI:146237) is a alkaloid ester (CHEBI:38481)
dehydrosecodine(1+) (CHEBI:146237) is a methyl ester (CHEBI:25248)
dehydrosecodine(1+) (CHEBI:146237) is a monoterpenoid indole alkaloid (CHEBI:65323)
dehydrosecodine(1+) (CHEBI:146237) is a tertiary ammonium ion (CHEBI:137982)
dehydrosecodine(1+) (CHEBI:146237) is conjugate acid of dehydrosecodine (CHEBI:146301)
Incoming Relation(s)
dehydrosecodine (CHEBI:146301) is conjugate base of dehydrosecodine(1+) (CHEBI:146237)
UniProt Name  Source
dehydrosecodineUniProt
Manual XrefsDatabases
CPD-21545MetaCyc
Citations