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 86.073
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.
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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
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 Waiting for Citations Type Source
21486009 PubMed citation Europe PMC
Last Modified
01 September 2015