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CHEBI:28631 - 3-phenylpropionic acid

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ChEBI Name 3-phenylpropionic acid
ChEBI ID CHEBI:28631
Definition A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26002, CHEBI:43112, CHEBI:8103, CHEBI:26005
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Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.068
InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES OC(=O)CCc1ccccc1
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
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): 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.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 2-aminobenzoylacetic acid (CHEBI:131950) 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-(p-nitrophenyl)propanoic acid (CHEBI:90321) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) 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)
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 Sources
3-Phenyl-propionic acid KEGG COMPOUND
3-Phenylpropanoic acid KEGG COMPOUND
3-phenylpropionic acid ChemIDplus
3-phenylpropionic acid KEGG COMPOUND
3-Phenylpropionsäure ChEBI
3PP DrugBank
benzenepropanoic acid ChemIDplus
benzenepropionic acid NIST Chemistry WebBook
benzylacetic acid ChemIDplus
β-phenylpropionic acid NIST Chemistry WebBook
dihydrocinnamic acid NIST Chemistry WebBook
HYDROCINNAMIC ACID PDBeChem
Hydrozimtsäure ChEBI
Phenylpropanoate KEGG COMPOUND
Database Links Databases
3-PHENYLPROPIONATE MetaCyc
C05629 KEGG COMPOUND
DB02024 DrugBank
ECMDB00764 ECMDB
HCI PDBeChem
HMDB00764 HMDB
Phenylpropanoic_acid Wikipedia
View more database links
Registry Numbers Types Sources
102198 Gmelin Registry Number Gmelin
501-52-0 CAS Registry Number KEGG COMPOUND
501-52-0 CAS Registry Number ChemIDplus
501-52-0 CAS Registry Number NIST Chemistry WebBook
907515 Beilstein Registry Number Beilstein
907515 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18062653 PubMed citation Europe PMC
20972783 PubMed citation Europe PMC
23470767 PubMed citation Europe PMC
24216280 PubMed citation Europe PMC
Last Modified
18 May 2016