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CHEBI:50217 - selegiline

ChEBI IDCHEBI:50217
ChEBI Nameselegiline
Stars
Last Modified2 May 2013
SubmitterInma Spiteri
DownloadsMolfile
FormulaC13H17N
Net Charge0
Average Mass187.286
Monoisotopic Mass187.13610
SMILESC#CCN(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
InChIKeyMEZLKOACVSPNER-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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 (CHEBI:50217) is a phenethylamine alkaloid (CHEBI:38605)
selegiline (CHEBI:50217) is a terminal acetylenic compound (CHEBI:73477)
selegiline (CHEBI:50217) is a tertiary amine (CHEBI:32876)
selegiline (CHEBI:50217) is conjugate base of selegiline(1+) (CHEBI:51099)
Incoming Relation(s)
(−)-selegiline (CHEBI:9086) is a selegiline (CHEBI:50217)
selegiline(1+) (CHEBI:51099) is conjugate acid of selegiline (CHEBI:50217)
IUPAC Name 
N-methyl-N-(1-methyl-2-phenylethyl)prop-2-yn-1-amine
INNs  Source
selegilineChEBI
selegilinumChEBI
sélégilineChEBI
selegilinaChEBI
Manual XrefsDatabases
DB01037DrugBank
Registry NumbersSources
Beilstein:2092580Beilstein