CHEBI:89484 - 4-heptanone

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ChEBI Name 4-heptanone
Definition A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H14O
Net Charge 0
Average Mass 114.186
Monoisotopic Mass 114.10447
InChI InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing 4-heptanone (CHEBI:89484) has parent hydride heptane (CHEBI:43098)
4-heptanone (CHEBI:89484) has role biomarker (CHEBI:59163)
4-heptanone (CHEBI:89484) has role human urinary metabolite (CHEBI:84087)
4-heptanone (CHEBI:89484) has role human xenobiotic metabolite (CHEBI:76967)
4-heptanone (CHEBI:89484) has role rat metabolite (CHEBI:86264)
4-heptanone (CHEBI:89484) is a dialkyl ketone (CHEBI:18044)
Synonyms Sources
4-Oxoheptane HMDB
Butyrone HMDB
Di-n-propyl ketone ChemIDplus
Dipropyl ketone HMDB
heptan-4-one UniProt
Propyl ketone ChemIDplus
Manual Xrefs Databases
4-Heptanone Wikipedia
C00035501 KNApSAcK
HMDB0004814 HMDB
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Registry Numbers Types Sources
123-19-3 CAS Registry Number NIST Chemistry WebBook
123-19-3 CAS Registry Number ChemIDplus
1699049 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
03 November 2017