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> Main
CHEBI:87755 - pentan-3-one
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ChEBI Name
pentan-3-one
ChEBI ID
CHEBI:87755
Definition
A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from
Triatoma brasiliensis
and
Triatoma infestans
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:67886
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Formula
C5H10O
Net Charge
0
Average Mass
86.132
Monoisotopic Mass
86.07316
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKey
FDPIMTJIUBPUKL-UHFFFAOYSA-N
SMILES
C(CC)(CC)=O
Metabolite of Species
Details
Triatoma infestans
(NCBI:txid30076)
Found in gland
(BTO:0000522)
. metasternal glands See:
PubMed
Triatoma brasiliensis
(NCBI:txid65344)
Found in gland
(BTO:0000522)
. metasternal glands 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pentan-3-one (
CHEBI:87755
)
has role
animal metabolite (
CHEBI:75767
)
pentan-3-one (
CHEBI:87755
)
is a
pentanone (
CHEBI:25892
)
Incoming
2,4-dimethyl-3-pentanone (
CHEBI:87754
)
has functional parent
pentan-3-one (
CHEBI:87755
)
IUPAC Name
pentan-3-one
Synonyms
Sources
diethyl ketone
ChEBI
Ethyl propionyl
ChEBI
pentan-3-one
UniProt
Manual Xref
Database
3-Pentanone
Wikipedia
View more database links
Registry Numbers
Types
Sources
635749
Reaxys Registry Number
Reaxys
96-22-0
CAS Registry Number
ChemIDplus
96-22-0
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
21486009
PubMed citation
Europe PMC
Last Modified
15 December 2020