(2E)-2-hexenyl isovalerate (CHEBI:172052)

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ChEBI Name	(2E)-2-hexenyl isovalerate

ChEBI ID	CHEBI:172052

ChEBI ASCII Name	(2E)-2-hexenyl isovalerate

Definition	A 2-hexenyl isovalerate in which the double bond adopts a trans-configuration.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

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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/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+

InChIKey

SAVRWHQEMHIAEB-VOTSOKGWSA-N

SMILES

CCC\C=C\COC(=O)CC(C)C

Metabolite of Species	Details
Sambucus williamsii (NCBI:txid180062)	See: PubMed
Camellia sinensis (NCBI:txid4442)	See: DOI
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain See: MetaboLights Study

Roles Classification
Biological Role(s):	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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. (via 2-hexenyl isovalerate )

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

ChEBI Ontology
Outgoing	(2E)-2-hexenyl isovalerate (CHEBI:172052) has role flavouring agent (CHEBI:35617) (2E)-2-hexenyl isovalerate (CHEBI:172052) has role human metabolite (CHEBI:77746) (2E)-2-hexenyl isovalerate (CHEBI:172052) has role volatile oil component (CHEBI:27311) (2E)-2-hexenyl isovalerate (CHEBI:172052) is a 2-hexenyl isovalerate (CHEBI:176332)

IUPAC Name

(2E)-hex-2-en-1-yl 3-methylbutanoate

Synonyms	Sources
(2E)-hex-2-en-1-yl 3-methylbutanoate	LIPID MAPS
(2E)-hex-2-en-1-yl 3-methylbutyrate	ChEBI
(2E)-hex-2-en-1-yl isovalerate	ChEBI
(2E)-hex-2-enyl 3-methylbutyrate	ChEBI
(2E)-hex-2-enyl isovalerate	ChEBI
(E)-2-hexenyl 3-methylbutyrate	NIST Chemistry WebBook
(E)-2-hexenyl isovalerate	ChemIDplus
(E)-hex-2-en-1-yl 3-methylbutanoate	ChEBI
(E)-hex-2-en-1-yl 3-methylbutyrate	ChEBI
(E)-hex-2-en-1-yl isovalerate	ChEBI
(E)-hex-2-enyl 3-methylbutyrate	ChEBI
(E)-hex-2-enyl isovalerate	ChemIDplus
FEMA 3930	HMDB
isovaleric acid trans-2-hexen-1-yl ester	ChEBI
trans-2-hexenyl isovalerate	ChemIDplus
trans-hex-2-en-1-yl 3-methylbutyrate	ChEBI
trans-hex-2-en-1-yl isovalerate	ChEBI
trans-hex-2-enyl 3-methylbutyrate	ChEBI
trans-hex-2-enyl isovalerate	ChEBI

Citation	Type	Source
27478495	PubMed citation	Europe PMC

Last Modified

03 June 2021