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CHEBI:51099 - selegiline(1+)

ChEBI IDCHEBI:51099
ChEBI Nameselegiline(1+)
Stars
Last Modified24 November 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H18N
Net Charge+1
Average Mass188.294
Monoisotopic Mass188.14338
SMILES[H][N+](C)(CC#C)C(C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1
InChIKeyMEZLKOACVSPNER-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)
selegiline(1+) (CHEBI:51099) is a phenethylamine alkaloid (CHEBI:38605)
selegiline(1+) (CHEBI:51099) is conjugate acid of selegiline (CHEBI:50217)
Incoming Relation(s)
(−)-selegiline(1+) (CHEBI:50350) is a selegiline(1+) (CHEBI:51099)
selegiline (CHEBI:50217) is conjugate base of selegiline(1+) (CHEBI:51099)
IUPAC Name 
N-methyl-N-(1-methyl-2-phenylethyl)prop-2-yn-1-aminium