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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:189405 - (
E
)-2-ethyl-2-hexenal
Main
ChEBI Ontology
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ChEBI Name
(
E
)-2-ethyl-2-hexenal
ChEBI ID
CHEBI:189405
ChEBI ASCII Name
(E)-2-ethyl-2-hexenal
Definition
A 2-ethyl-2-hexenal in which the double bond adopts a
trans
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H14O
Net Charge
0
Average Mass
126.199
Monoisotopic Mass
126.10447
InChI
InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
InChIKey
PYLMCYQHBRSDND-SOFGYWHQSA-N
SMILES
[H]C(=O)C(\CC)=C\CCC
Metabolite of Species
Details
Camponotus irritibilis
(NCBI:txid13390)
See:
PubMed
Roles Classification
Biological Role
(s):
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
2-ethyl-2-hexenal
)
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
2-ethyl-2-hexenal
)
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
(via
2-ethyl-2-hexenal
)
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
(via
2-ethyl-2-hexenal
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
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
(2
E
)-2-ethylhex-2-enal
Synonyms
Sources
(2
E
)-2-ethyl-2-hexenal
ChemIDplus
(2
E
)-2-ethyl-3-propylacrolein
ChEBI
(
E
)-2-ethyl-3-propylacrolein
ChEBI
(
E
)-2-ethylhex-2-enal
ChEBI
(
E
)-2-ethylhexenal
ChEBI
trans
-2-ethyl-2-hexenal
ChemIDplus
trans
-2-ethylhex-2-enal
ChEBI
Manual Xref
Database
4510484
ChemSpider
View more database links
Registry Numbers
Types
Sources
1700153
Reaxys Registry Number
Reaxys
64344-45-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18213494
PubMed citation
Europe PMC
30908906
PubMed citation
Europe PMC
Last Modified
19 January 2022