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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride

ChEBI ID	CHEBI:170057

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H19NO2.ClH

Net Charge

Average Mass

281.780

Monoisotopic Mass

281.11826

InChI

InChI=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

InChIKey

OUUJCRMFXWWRGV-UHFFFAOYSA-N

SMILES

Cl.OC(=O)CCCN1CCC(=CC1)C2=CC=CC=C2

Metabolite of Species	Details
Culture Media	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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