3-phenylpropanal (CHEBI:39940)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C9H10O

Net Charge

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.

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

Last Modified

15 April 2020