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CHEBI:194238 - trans-3-hexenyl isovalerate

ChEBI IDCHEBI:194238
ChEBI Nametrans-3-hexenyl isovalerate
Stars
ASCII Nametrans-3-hexenyl isovalerate
DefinitionA 3-hexenyl isovalerate in which the double bond adopts trans-configuration.
Last Modified13 January 2023
SubmitterAdnan
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESCC/C=C/CCOC(=O)CC(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKeyAIQLNKITFBJPFO-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - PubMed (31478003)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
trans-3-hexenyl isovalerate (CHEBI:194238) has role plant metabolite (CHEBI:76924)
trans-3-hexenyl isovalerate (CHEBI:194238) is a 3-hexenyl isovalerate (CHEBI:194237)
IUPAC Name 
(3E)-hex-3-en-1-yl 3-methylbutanoate
Synonyms  Source
(E)-3-hexen-1-yl isovalerateChEBI
trans-3-hexenyl 3-methylbutanoateChEBI
(3E)-3-hexenyl 3-methylbutanoateChEBI
(3E)-hex-3-enyl 3-methylbutyrateChEBI
(3E)-hex-3-enyl isovalerateChEBI
(3E)-hexenyl 3-methyl butyrateChEBI
Manual XrefsDatabases
4825609ChemSpider
Registry NumbersSources
Reaxys:32652697Reaxys
CAS:88296-26-8ChemIDplus
Citations