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CHEBI:170057 - 4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride

ChEBI IDCHEBI:170057
ChEBI Name4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19NO2.HCl
Net Charge0
Average Mass281.783
Monoisotopic Mass281.11826
SMILESCl.O=C(O)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H19NO2.ClH/c17-15(18)7-4-10-16-11-8-14(9-12-16)13-5-2-1-3-6-13;/h1-3,5-6,8H,4,7,9-12H2,(H,17,18);1H
InChIKeyOUUJCRMFXWWRGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride (CHEBI:170057) is a amino fatty acid (CHEBI:59650)
IUPAC Name 
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid;hydrochloride
Manual XrefsDatabases
2101335ChemSpider