EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167144 - 5-nonen-2-one

ChEBI IDCHEBI:167144
ChEBI Name5-nonen-2-one
Stars
DefinitionA methyl ketone that is nonan-2-one carrying a double bond at position 5.
Last Modified14 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O
Net Charge0
Average Mass140.226
Monoisotopic Mass140.12012
SMILES[H]C(CCC)=C([H])CCC(C)=O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRXFZCBZCGBDPDT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) cheese product (ENVO:00002189) MetaboLights (MTBLS1509) Strain: Lacaune [LBO:0001072]
Neopyropia yezoensis (ncbitaxon:2788) - DOI (10.1007/s11802-018-3319-y) Species also known as Pyropia yezoensis.
Elephas maximus (ncbitaxon:9783) - PubMed (24264084) Found in temporal gland secretion.
Oxytrigona tataira (ncbitaxon:166429) - DOI (10.1007/BF00988091) Species also known as Trigona (Oxytrigona) tataira. Found in the cephalic glands.
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
5-nonen-2-one (CHEBI:167144) has role mammalian metabolite (CHEBI:75768)
5-nonen-2-one (CHEBI:167144) is a methyl ketone (CHEBI:51867)
5-nonen-2-one (CHEBI:167144) is a olefinic compound (CHEBI:78840)
Incoming Relation(s)
(5E)-5-nonen-2-one (CHEBI:180466) is a 5-nonen-2-one (CHEBI:167144)
(5Z)-5-nonen-2-one (CHEBI:180467) is a 5-nonen-2-one (CHEBI:167144)
IUPAC Name 
non-5-en-2-one
Manual XrefsDatabases
4515872ChemSpider
LMFA12000141LIPID MAPS
HMDB0034761HMDB
Registry NumbersSources
Reaxys:2235570Reaxys
CAS:27039-84-5ChemIDplus
CAS:27039-84-5NIST Chemistry WebBook
Citations