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CHEBI:89209 - Ethyl isobutyl ketone

Default Structure
ChEBI IDCHEBI:89209
ChEBI NameEthyl isobutyl ketone
Stars
DownloadsMolfile
FormulaC7H14O
Net Charge0
Average Mass114.188
Monoisotopic Mass114.10447
SMILESCCC(=O)CC(C)C
InChIInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyDXVYLFHTJZWTRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (17314143)
ChEBI Ontology
Outgoing Relation(s)
Ethyl isobutyl ketone (CHEBI:89209) is a ketone (CHEBI:17087)
Synonyms  Source
2-Methyl-4-hexanoneHMDB
5-Methyl-3-hexanoneHMDB
5-methylhexan-3-oneHMDB
5-Methylhexan-3-oneHMDB
Isobutyl ethyl ketoneHMDB
Manual XrefsDatabases
HMDB0005841HMDB
Registry NumbersSources
CAS:623-56-3KEGG COMPOUND
Citations