2-ethyl-2-hexenal (CHEBI:88838)

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ChEBI Name	2-ethyl-2-hexenal

ChEBI ID	CHEBI:88838

Definition	A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H14O

Net Charge

Average Mass

126.199

Monoisotopic Mass

126.10447

InChI

InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3

InChIKey

PYLMCYQHBRSDND-UHFFFAOYSA-N

SMILES

[H]C(=O)C(CC)=C([H])CCC

Metabolite of Species	Details
Mandragora autumnalis (NCBI:txid389206)	Found in Root (BTO:0001188). See: DOI
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
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. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). flavouring agent A food additive that is used to added improve the taste or odour of a food.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	2-ethyl-2-hexenal (CHEBI:88838) has role flavouring agent (CHEBI:35617) 2-ethyl-2-hexenal (CHEBI:88838) has role human metabolite (CHEBI:77746) 2-ethyl-2-hexenal (CHEBI:88838) has role plant metabolite (CHEBI:76924) 2-ethyl-2-hexenal (CHEBI:88838) is a enal (CHEBI:51688) 2-ethyl-2-hexenal (CHEBI:88838) is a monounsaturated fatty aldehyde (CHEBI:61870)

Incoming	(E)-2-ethyl-2-hexenal (CHEBI:189405) is a 2-ethyl-2-hexenal (CHEBI:88838) (Z)-2-ethyl-2-hexenal (CHEBI:189407) is a 2-ethyl-2-hexenal (CHEBI:88838)

IUPAC Name

2-ethylhex-2-enal

Last Modified

19 January 2022