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CHEBI:82334 - (E,E)-2,4-hexadienal

Default Structure
ChEBI IDCHEBI:82334
ChEBI Name(E,E)-2,4-hexadienal
Stars
ASCII Name(E,E)-2,4-hexadienal
DefinitionA hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices.
Last Modified28 November 2018
DownloadsMolfile
FormulaC6H8O
Net Charge0
Average Mass96.129
Monoisotopic Mass96.05751
SMILES[H]C(=O)/C=C/C=C/C
InChIInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
InChIKeyBATOPAZDIZEVQF-MQQKCMAXSA-N
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) - Article (Wang et al (2011) Comparison of catechins and volatile compounds among different types of tea using high performance liquid chromatograph and gas chromatograph mass spectrometer International journal of food science & technology. 46, 1406-1412.) Detected in black tea.
Cucumis sativus (ncbitaxon:3659) leaf (BTO:0000713) PubMed (27827841)
Fagopyrum esculentum (ncbitaxon:3617) - Article (Damjan, J. et al (2010) Aroma Compounds in Buckwheat (Fagopyrum esculentum Moench) Groats, Flour, Bran, and Husk. Cereal chemistry. 87, 141-143.)
Solanum lycopersicum (ncbitaxon:4081) leaf (BTO:0000713) PubMed (14732275)
Roles Classification
Biological Roles:
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,E)-2,4-hexadienal (CHEBI:82334) has role flavouring agent (CHEBI:35617)
(E,E)-2,4-hexadienal (CHEBI:82334) has role plant metabolite (CHEBI:76924)
(E,E)-2,4-hexadienal (CHEBI:82334) is a hexadienal (CHEBI:24551)
(E,E)-2,4-hexadienal (CHEBI:82334) is a polyunsaturated fatty aldehyde (CHEBI:72692)
(E,E)-2,4-hexadienal (CHEBI:82334) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
(2E,4E)-hexa-2,4-dienal
Synonyms  Source
2,4-(E-E)-hexadienalChEBI
(2E,4E)-hexa-2,4-dienalChEBI
(E,E)-2,4-hexadien-1-alChEBI
trans-2,4-hexadienalChEBI
trans,trans-2,4-hexadien-1-alChEBI
trans,trans-2,4-hexadienalChEBI
UniProt Name  Source
(E,E)-2,4-hexadienalUniProt
Manual XrefsDatabases
C00035881KNApSAcK
C19249KEGG COMPOUND
FDB013267FooDB
HMDB0034729HMDB
LMFA06000006LIPID MAPS
Registry NumbersSources
Beilstein:1698401Beilstein
CAS:142-83-6KEGG COMPOUND
CAS:142-83-6NIST Chemistry WebBook
CAS:142-83-6ChemIDplus
Citations