Terminology Service for NFDI4Health
3-hexanone
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http://purl.obolibrary.org/obo/CHEBI_89891
A dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group.
Term info
Label
3-hexanone
Synonyms
- hexan-3-one
Subsets
3_STAR
charge
0
formula
C6H12O
has obo namespace
chebi_ontology
has related synonym
hexan-3-one, Ethyl propyl ketone, Ethyl n-propyl ketone, 3-Oxohexane
id
CHEBI:89891
inchi
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
inchikey
PFCHFHIRKBAQGU-UHFFFAOYSA-N
mass
100.159
monoisotopicmass
100.08882
smiles
O=C(CCC)CC
Term relations
Subclass of:
- dialkyl ketone
- has role some human xenobiotic metabolite
- has parent hydride some hexane
- has role some bacterial xenobiotic metabolite
- has role some human urinary metabolite
- has role some plant metabolite
- has role some insect attractant