CHEBI:80946 - 3-octanone

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ChEBI Name 3-octanone
ChEBI ID CHEBI:80946
Definition A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H16O
Net Charge 0
Average Mass 128.212
Monoisotopic Mass 128.120
InChI InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
InChIKey RHLVCLIPMVJYKS-UHFFFAOYSA-N
SMILES CCC(CCCCC)=O
Metabolite of Species Details
Tuber liyuanum (NCBI:txid1255164) See: PubMed
Schizonepeta (NCBI:txid135199) See: PubMed
Marchantia polymorpha (NCBI:txid3197) See: PubMed
Lathyrus sativus (NCBI:txid3860) Found in seed (BTO:0001226). See: PubMed
Octavianina asterosperma (NCBI:txid388861) See: PubMed
Flammulina velutipes (NCBI:txid38945) See: PubMed
Pleurotus abalonus (NCBI:txid47962) See: PubMed
Pleurotus ostreatus (NCBI:txid5322) See: PubMed
Pleurotus eryngii (NCBI:txid5323) See: PubMed
Carinostoma carinatum (NCBI:txid673238) See: PubMed
Melanogaster broomeanus (NCBI:txid85974) See: PubMed
Hymenogaster luteus var. luteus (NCBI:txid947188) See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
insect attractant
A chemical that lures insects to a trap, thereby removing them from crops, animals or stored products.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): insect attractant
A chemical that lures insects to a trap, thereby removing them from crops, animals or stored products.
antifeedant
A substance that prevents pests from feeding.
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-octanone (CHEBI:80946) has parent hydride octane (CHEBI:17590)
3-octanone (CHEBI:80946) has role antifeedant (CHEBI:22583)
3-octanone (CHEBI:80946) has role biomarker (CHEBI:59163)
3-octanone (CHEBI:80946) has role fungal metabolite (CHEBI:76946)
3-octanone (CHEBI:80946) has role human urinary metabolite (CHEBI:84087)
3-octanone (CHEBI:80946) has role insect attractant (CHEBI:24850)
3-octanone (CHEBI:80946) has role plant metabolite (CHEBI:76924)
3-octanone (CHEBI:80946) is a dialkyl ketone (CHEBI:18044)
IUPAC Name
octan-3-one
Synonyms Sources
3-Oxooctane NIST Chemistry WebBook
Amyl ethyl ketone HMDB
EAK ChemIDplus
Ethyl amyl ketone ChemIDplus
Ethyl n-amyl ketone ChemIDplus
Ethyl n-pentyl ketone ChemIDplus
Ethyl pentyl ketone ChemIDplus
n-Amyl ethyl ketone HMDB
octan-3-one UniProt
Manual Xrefs Databases
3-Octanone Wikipedia
C00034765 KNApSAcK
C17145 KEGG COMPOUND
HMDB0031295 HMDB
View more database links
Registry Numbers Types Sources
106-68-3 CAS Registry Number NIST Chemistry WebBook
106-68-3 CAS Registry Number ChemIDplus
1700021 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
06 November 2017