CHEBI:28631 - 3-phenylpropionic acid

ChEBI IDCHEBI:28631
ChEBI Name3-phenylpropionic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.
Secondary ChEBI IDsCHEBI:8103, CHEBI:26002, CHEBI:26005, CHEBI:43112
Last Modified28 November 2022
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESO=C(O)CCc1ccccc1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
3-phenylpropionic acid (CHEBI:28631) has functional parent propionic acid (CHEBI:30768)
3-phenylpropionic acid (CHEBI:28631) has role antifungal agent (CHEBI:35718)
3-phenylpropionic acid (CHEBI:28631) has role human metabolite (CHEBI:77746)
3-phenylpropionic acid (CHEBI:28631) has role plant metabolite (CHEBI:76924)
3-phenylpropionic acid (CHEBI:28631) is a benzenes (CHEBI:22712)
3-phenylpropionic acid (CHEBI:28631) is a monocarboxylic acid (CHEBI:25384)
3-phenylpropionic acid (CHEBI:28631) is conjugate acid of 3-phenylpropionate (CHEBI:51057)
Incoming Relation(s)
2-aminobenzoylacetic acid (CHEBI:131950) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-(p-nitrophenyl)propanoic acid (CHEBI:90321) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-phenylbutyric acid (CHEBI:166657) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-phenylpropanoyl-CoA (CHEBI:85675) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-phenylpropionate ester (CHEBI:50791) has functional parent 3-phenylpropionic acid (CHEBI:28631)
methyl 3-phenylpropanoate (CHEBI:89875) has functional parent 3-phenylpropionic acid (CHEBI:28631)
propyl dihydroferulate (CHEBI:78758) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-phenylpropionate (CHEBI:51057) is conjugate base of 3-phenylpropionic acid (CHEBI:28631)
IUPAC Name 
3-phenylpropanoic acid
Synonyms  Source
PhenylpropanoateKEGG COMPOUND
3-Phenyl-propionic acidKEGG COMPOUND
3-Phenylpropanoic acidKEGG COMPOUND
HYDROCINNAMIC ACIDPDBeChem
3-phenylpropionic acidChemIDplus
β-phenylpropionic acidNIST Chemistry WebBook
Manual XrefsDatabases
C05629KEGG COMPOUND
HCIPDBeChem
DB02024DrugBank
HMDB0000764HMDB
3-PHENYLPROPIONATEMetaCyc
Phenylpropanoic_acidWikipedia
ECMDB00764ECMDB
Registry NumbersSources
Gmelin:102198Gmelin
Reaxys:907515Reaxys
CAS:501-52-0KEGG COMPOUND
CAS:501-52-0ChemIDplus
CAS:501-52-0NIST Chemistry WebBook
Citations