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CHEBI:28913 - (2E)-hexenal

ChEBI IDCHEBI:28913
ChEBI Name(2E)-hexenal
Stars
ASCII Name(2E)-hexenal
DefinitionA 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.
Secondary ChEBI IDsCHEBI:6399, CHEBI:18539
Last Modified23 March 2022
DownloadsMolfile
FormulaC6H10O
Net Charge0
Average Mass98.145
Monoisotopic Mass98.07316
SMILESCCC/C=C/C=O
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChIKeyMBDOYVRWFFCFHM-SNAWJCMRSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
(2E)-hexenal (CHEBI:28913) has role antibacterial agent (CHEBI:33282)
(2E)-hexenal (CHEBI:28913) has role flavouring agent (CHEBI:35617)
(2E)-hexenal (CHEBI:28913) has role plant metabolite (CHEBI:76924)
(2E)-hexenal (CHEBI:28913) is a 2-hexenal (CHEBI:19591)
IUPAC Name 
(2E)-hex-2-enal
Synonyms  Source
Leaf aldehydeKEGG COMPOUND
2-Hexenal, (2E)-KEGG COMPOUND
(E)-2-HexenalKEGG COMPOUND
(E)-hex-2-enalChEBI
3-PropylacroleinHMDB
β-propylacroleinChemIDplus
UniProt Name  Source
(E)-hex-2-enalUniProt
Manual XrefsDatabases
C08497KEGG COMPOUND
Registry NumbersSources
Reaxys:1699684Reaxys
CAS:6728-26-3KEGG COMPOUND
CAS:6728-26-3ChemIDplus
Citations