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CHEBI:87755 - pentan-3-one

ChEBI IDCHEBI:87755
ChEBI Namepentan-3-one
Stars
DefinitionA pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans.
Secondary ChEBI IDCHEBI:67886
Last Modified15 December 2020
Submitternamrata
DownloadsMolfile
FormulaC5H10O
Net Charge0
Average Mass86.134
Monoisotopic Mass86.07316
SMILESCCC(=O)CC
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKeyFDPIMTJIUBPUKL-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Triatoma brasiliensis (ncbitaxon:65344) gland (BTO:0000522) PubMed (21486009) metasternal glands
Triatoma infestans (ncbitaxon:30076) gland (BTO:0000522) PubMed (21486009) metasternal glands
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
pentan-3-one (CHEBI:87755) has role animal metabolite (CHEBI:75767)
pentan-3-one (CHEBI:87755) is a pentanone (CHEBI:25892)
Incoming Relation(s)
2,4-dimethyl-3-pentanone (CHEBI:87754) has functional parent pentan-3-one (CHEBI:87755)
IUPAC Name 
pentan-3-one
Synonyms  Source
Ethyl propionylChEBI
diethyl ketoneChEBI
UniProt Name  Source
pentan-3-oneUniProt
Manual XrefsDatabases
3-PentanoneWikipedia
Registry NumbersSources
Reaxys:635749Reaxys
CAS:96-22-0ChemIDplus
CAS:96-22-0NIST Chemistry WebBook
Citations