EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183229 - (E)-4-hexen-3-one

Default Structure
ChEBI IDCHEBI:183229
ChEBI Name(E)-4-hexen-3-one
Stars
ASCII Name(E)-4-hexen-3-one
DefinitionA 4-hexen-3-one in which the double bond adopts a trans-configuration.
Last Modified3 November 2021
SubmitterAdnan
DownloadsMolfile
FormulaC6H10O
Net Charge0
Average Mass98.145
Monoisotopic Mass98.07316
SMILESC/C=C/C(=O)CC
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyFEWIGMWODIRUJM-HWKANZROSA-N
Roles Classification
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
(E)-4-hexen-3-one (CHEBI:183229) is a 4-hexen-3-one (CHEBI:89801)
IUPAC Name 
(4E)-hex-4-en-3-one
Synonyms  Source
(4E)-4-hexen-3-oneChEBI
(E)-2-hexen-4-oneMetaCyc
(E)-2-hexene-4-oneMetaCyc
(E)-hex-4-en-3-oneChEBI
trans-4-hexen-3-oneChEBI
trans-4-hexene-3-oneChEBI
UniProt Name  Source
(E)-4-hexen-3-oneUniProt
Manual XrefsDatabases
4517756ChemSpider
CPD-13222MetaCyc
Registry NumbersSources
CAS:50396-87-7ChemIDplus