3-phenylbutyric acid (CHEBI:166657)

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ChEBI Name	3-phenylbutyric acid

ChEBI ID	CHEBI:166657

Definition	A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H12O2

Net Charge

Average Mass

164.204

Monoisotopic Mass

164.08373

InChI

InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)

InChIKey

ZZEWMYILWXCRHZ-UHFFFAOYSA-N

SMILES

CC(CC(O)=O)C1=CC=CC=C1

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

Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology
Outgoing	3-phenylbutyric acid (CHEBI:166657) has functional parent 3-phenylpropionic acid (CHEBI:28631) 3-phenylbutyric acid (CHEBI:166657) has role antibacterial agent (CHEBI:33282) 3-phenylbutyric acid (CHEBI:166657) has role bacterial xenobiotic metabolite (CHEBI:76976) 3-phenylbutyric acid (CHEBI:166657) is a benzenes (CHEBI:22712) 3-phenylbutyric acid (CHEBI:166657) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

3-phenylbutanoic acid

Synonyms	Sources
β-methylbenzenepropanoic acid	ChEBI
β-methylhydrocinnamic acid	ChEBI
β-phenylbutyric acid	ChEBI

Last Modified

08 July 2022