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CHEBI:50350 - (−)-selegiline(1+)

Default Structure
ChEBI IDCHEBI:50350
ChEBI Name(−)-selegiline(1+)
Stars
ASCII Name(-)-selegiline(1+)
Last Modified24 November 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaC13H18N
Net Charge+1
Average Mass188.294
Monoisotopic Mass188.14338
SMILES[H][N+](C)(CC#C)[C@H](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/t12-/m1/s1
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-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:50350) is a selegiline(1+) (CHEBI:51099)
(−)-selegiline(1+) (CHEBI:50350) is conjugate acid of (−)-selegiline (CHEBI:9086)
Incoming Relation(s)
selegiline hydrochloride (CHEBI:9087) has part (−)-selegiline(1+) (CHEBI:50350)
(−)-selegiline (CHEBI:9086) is conjugate base of (−)-selegiline(1+) (CHEBI:50350)
IUPAC Name 
N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-yn-1-aminium