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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:39940 - 3-phenylpropanal
Main
ChEBI Ontology
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ChEBI Name
3-phenylpropanal
ChEBI ID
CHEBI:39940
Definition
A benzene which is substituted by a 3-oxopropyl group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O
Net Charge
0
Average Mass
134.178
Monoisotopic Mass
134.07316
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKey
YGCZTXZTJXYWCO-UHFFFAOYSA-N
SMILES
C=1C(=CC=CC1)CCC([H])=O
Metabolite of Species
Details
Cinnamomum cassia
(NCBI:txid119260)
Found in bark
(BTO:0001301)
. See:
PubMed
Cinnamomum zeylanicum
(NCBI:txid128608)
Found in bark
(BTO:0001301)
. See:
PubMed
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-phenylpropanal (
CHEBI:39940
)
has functional parent
benzene (
CHEBI:16716
)
3-phenylpropanal (
CHEBI:39940
)
has role
flavouring agent (
CHEBI:35617
)
3-phenylpropanal (
CHEBI:39940
)
has role
plant metabolite (
CHEBI:76924
)
3-phenylpropanal (
CHEBI:39940
)
is a
aldehyde (
CHEBI:17478
)
3-phenylpropanal (
CHEBI:39940
)
is a
benzenes (
CHEBI:22712
)
IUPAC Name
3-phenylpropanal
Synonyms
Sources
3-phenyl-1-propanal
ChemIDplus
3-phenylpropan-1-al
NIST Chemistry WebBook
3-phenylpropanal
UniProt
3-phenylpropionaldehyde
ChemIDplus
3-phenylpropyl aldehyde
ChemIDplus
3-phenylpropylaldehyde
ChemIDplus
benzenepropanal
ChemIDplus
benzylacetaldehyde
ChemIDplus
β-phenylpropionaldehyde
ChemIDplus
dihydrocinnamaldehyde
ChemIDplus
hydrocinnamaldehyde
ChemIDplus
hydrocinnamic aldehyde
ChemIDplus
hydrocinnamylaldehyde
ChemIDplus
Manual Xrefs
Databases
3PL
PDBeChem
CPD-19228
MetaCyc
FDB011835
FooDB
HMDB0033716
HMDB
View more database links
Registry Numbers
Types
Sources
104-53-0
CAS Registry Number
ChemIDplus
104-53-0
CAS Registry Number
NIST Chemistry WebBook
1071910
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11051560
PubMed citation
Europe PMC
14667463
PubMed citation
Europe PMC
27444877
PubMed citation
Europe PMC
28556537
PubMed citation
Europe PMC
31423791
PubMed citation
Europe PMC
32119147
PubMed citation
Europe PMC
6082608
PubMed citation
Europe PMC
Last Modified
15 April 2020