3-hexenyl isovalerate (CHEBI:194237)

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ChEBI Name	3-hexenyl isovalerate

ChEBI ID	CHEBI:194237

Definition	A fatty acid ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of hex-3-en-1-ol.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H20O2

Net Charge

Average Mass

184.279

Monoisotopic Mass

184.14633

InChI

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3

InChIKey

AIQLNKITFBJPFO-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Erigeron annuus (NCBI:txid91248)	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-hexenyl isovalerate (CHEBI:194237) has functional parent hex-3-en-1-ol (CHEBI:145715) 3-hexenyl isovalerate (CHEBI:194237) has functional parent isovaleric acid (CHEBI:28484) 3-hexenyl isovalerate (CHEBI:194237) has role flavouring agent (CHEBI:35617) 3-hexenyl isovalerate (CHEBI:194237) has role plant metabolite (CHEBI:76924) 3-hexenyl isovalerate (CHEBI:194237) is a fatty acid ester (CHEBI:35748) 3-hexenyl isovalerate (CHEBI:194237) is a olefinic compound (CHEBI:78840)

Incoming	cis-3-hexenyl isovalerate (CHEBI:172060) is a 3-hexenyl isovalerate (CHEBI:194237) trans-3-hexenyl isovalerate (CHEBI:194238) is a 3-hexenyl isovalerate (CHEBI:194237)

IUPAC Name

hex-3-en-1-yl 3-methylbutanoate

Synonyms	Sources
3-hexen-1-yl 3-methylbutanoate	ChEBI
3-hexen-1-yl isovalerate	ChEBI
3-hexenyl 3-methylbutanoate	ChEBI
3-hexenyl-3-methylbutanoate	NIST Chemistry WebBook
3-methylbutanoic acid 3-hexen-1-yl ester	ChEBI
3-methylbutanoic acid 3-hexenyl ester	ChEBI
FEMA 3498	ChEBI
hex-3-enyl 3-methylbutyrate	ChEBI
hex-3-enyl isovalerate	NIST Chemistry WebBook
isovaleric acid 3-hexenyl ester	ChEBI

Last Modified

13 January 2023