CHEBI:50350 - (−)-selegiline(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-selegiline(1+)
ChEBI ID CHEBI:50350
ChEBI ASCII Name (-)-selegiline(1+)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H18N
Net Charge +1
Average Mass 188.28876
Monoisotopic Mass 188.14338
InChI InChI=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
InChIKey MEZLKOACVSPNER-GFCCVEGCSA-O
SMILES [H][N+](C)(CC#C)[C@H](C)Cc1ccccc1
Roles Classification
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 (−)-selegiline(1+) (CHEBI:50350) is a selegiline(1+) (CHEBI:51099)
(−)-selegiline(1+) (CHEBI:50350) is conjugate acid of (−)-selegiline (CHEBI:9086)
Incoming 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
Last Modified
24 November 2008