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CHEBI:143030 - 3-(phenethylamino)-butan-2-one

ChEBI IDCHEBI:143030
ChEBI Name3-(phenethylamino)-butan-2-one
Stars
DefinitionA methyl ketone that is 2-phenylethan-1-amine in which one of the hydrogen's of the amino group is substituted by a 3-oxobutan-2-yl group. It is a volatile organic compound produced by the skin bacterium, S.schleiferi.
Last Modified19 February 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H17NO
Net Charge0
Average Mass191.274
Monoisotopic Mass191.13101
SMILESCC(=O)C(C)NCCc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(11(2)14)13-9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3
InChIKeyWGOUDWYOCIOVMG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus schleiferi (ncbitaxon:1295) - PubMed (27720237) Strain: DSM:4807
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-(phenethylamino)-butan-2-one (CHEBI:143030) has role antibacterial agent (CHEBI:33282)
3-(phenethylamino)-butan-2-one (CHEBI:143030) has role bacterial metabolite (CHEBI:76969)
3-(phenethylamino)-butan-2-one (CHEBI:143030) is a benzenes (CHEBI:22712)
3-(phenethylamino)-butan-2-one (CHEBI:143030) is a methyl ketone (CHEBI:51867)
3-(phenethylamino)-butan-2-one (CHEBI:143030) is a secondary amino compound (CHEBI:50995)
3-(phenethylamino)-butan-2-one (CHEBI:143030) is a volatile organic compound (CHEBI:134179)
3-(phenethylamino)-butan-2-one (CHEBI:143030) is conjugate base of 3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110)
Incoming Relation(s)
3-(phenethylamino)-butan-2-one(1+) (CHEBI:143110) is conjugate acid of 3-(phenethylamino)-butan-2-one (CHEBI:143030)
IUPAC Name 
3-[(2-phenylethyl)amino]butan-2-one
Synonym  Source
schleiferon ASUBMITTER
Citations