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CHEBI:189405 - (E)-2-ethyl-2-hexenal

ChEBI IDCHEBI:189405
ChEBI Name(E)-2-ethyl-2-hexenal
Stars
ASCII Name(E)-2-ethyl-2-hexenal
DefinitionA 2-ethyl-2-hexenal in which the double bond adopts a trans-configuration.
Last Modified19 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILES[H]C(=O)/C(=C/CCC)CC
InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
InChIKeyPYLMCYQHBRSDND-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Camponotus irritibilis (ncbitaxon:13390) - PubMed (18213494)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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)-2-ethyl-2-hexenal (CHEBI:189405) has role animal metabolite (CHEBI:75767)
(E)-2-ethyl-2-hexenal (CHEBI:189405) is a 2-ethyl-2-hexenal (CHEBI:88838)
IUPAC Name 
(2E)-2-ethylhex-2-enal
Synonyms  Source
(2E)-2-ethyl-2-hexenalChemIDplus
trans-2-ethyl-2-hexenalChemIDplus
(E)-2-ethylhex-2-enalChEBI
(2E)-2-ethyl-3-propylacroleinChEBI
(E)-2-ethyl-3-propylacroleinChEBI
(E)-2-ethylhexenalChEBI
Manual XrefsDatabases
4510484ChemSpider
Registry NumbersSources
Reaxys:1700153Reaxys
CAS:64344-45-2ChemIDplus
Citations