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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87567 - 1-hepten-3-one
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ChEBI Name
1-hepten-3-one
ChEBI ID
CHEBI:87567
Definition
An enone that is hept-1-ene substituted by an oxo group at position 3.
Stars
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/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey
OYLCUJRJCUXQBQ-UHFFFAOYSA-N
SMILES
CCCCC(=O)C=C
Metabolite of Species
Details
Postia leucomallella
(NCBI:txid1046361)
Found in fruit body
(BTO:0000487)
. See:
PubMed
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-hepten-3-one (
CHEBI:87567
)
has role
fungal metabolite (
CHEBI:76946
)
1-hepten-3-one (
CHEBI:87567
)
is a
enone (
CHEBI:51689
)
IUPAC Name
hept-1-en-3-one
Synonyms
Sources
n
-butylacrolein
ChEBI
vinyl butyl ketone
ChEBI
Registry Numbers
Types
Sources
1700018
Reaxys Registry Number
Reaxys
2918-13-0
CAS Registry Number
NIST Chemistry WebBook
2918-13-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16356517
PubMed citation
Europe PMC
24193576
PubMed citation
Europe PMC
Last Modified
19 August 2015