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:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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.
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
3-Phenylpropanoic acidKEGG COMPOUND
3-phenylpropionic acidChemIDplus
3-phenylpropionic acidKEGG COMPOUND
3-Phenyl-propionic acidKEGG COMPOUND
3-PhenylpropionsäureChEBI
3PPDrugBank
Manual XrefsDatabases
3-PHENYLPROPIONATEMetaCyc
C05629KEGG COMPOUND
DB02024DrugBank
ECMDB00764ECMDB
HCIPDBeChem
HMDB0000764HMDB
Phenylpropanoic_acidWikipedia
Registry NumbersSources
Gmelin:102198Gmelin
Reaxys:907515Reaxys
CAS:501-52-0ChemIDplus
CAS:501-52-0KEGG COMPOUND
CAS:501-52-0NIST Chemistry WebBook
Citations