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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:87582 - (4
E
)-hept-4-en-2-one
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ChEBI Name
(4
E
)-hept-4-en-2-one
ChEBI ID
CHEBI:87582
ChEBI ASCII Name
(4E)-hept-4-en-2-one
Definition
A methyl ketone heptan-2-one carrying a double bond at position 4.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H12O
Net Charge
0
Average Mass
112.16960
Monoisotopic Mass
112.08882
InChI
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey
VQKIKHHXFHNXJT-SNAWJCMRSA-N
SMILES
CC\C=C\CC(C)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(4
E
)-hept-4-en-2-one (
CHEBI:87582
)
has role
metabolite (
CHEBI:25212
)
(4
E
)-hept-4-en-2-one (
CHEBI:87582
)
is a
methyl ketone (
CHEBI:51867
)
(4
E
)-hept-4-en-2-one (
CHEBI:87582
)
is a
olefinic compound (
CHEBI:78840
)
IUPAC Name
(4
E
)-hept-4-en-2-one
Registry Numbers
Types
Sources
2497435
Reaxys Registry Number
Reaxys
36678-43-0
CAS Registry Number
NIST Chemistry WebBook
Last Modified
20 August 2015