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CHEBI:88900 - 1-Octen-3-one

ChEBI IDCHEBI:88900
ChEBI Name1-Octen-3-one
Stars
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESC=CC(=O)CCCCC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKeyKLTVSWGXIAYTHO-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (21386183)
saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
1-Octen-3-one (CHEBI:88900) has functional parent acrylic acid (CHEBI:18308)
1-Octen-3-one (CHEBI:88900) is a olefinic compound (CHEBI:78840)
Synonyms  Source
1-Octene-3-oneHMDB
Vinyl amyl ketoneHMDB
Oct-1-en-3-oneHMDB
Amyl vinyl ketoneHMDB
Pentyl vinyl ketoneHMDB
oct-1-en-3-oneHMDB
Manual XrefsDatabases
1-Octen-3-oneWikipedia
HMDB0031309HMDB
Registry NumbersSources
CAS:4312-99-6KEGG COMPOUND
Citations