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> Main
CHEBI:28631 - 3-phenylpropionic acid
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ChEBI Ontology
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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
Supplier Information
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Read full article at Wikipedia
Formula
C9H10O2
Net Charge
0
Average Mass
150.17450
Monoisotopic Mass
150.06808
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:txid562)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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-(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-(
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-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
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
Manual Xrefs
Databases
3-PHENYLPROPIONATE
MetaCyc
C05629
KEGG COMPOUND
DB02024
DrugBank
ECMDB00764
ECMDB
HCI
PDBeChem
HMDB0000764
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
Reaxys Registry Number
Reaxys
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
28 November 2022