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CHEBI:89215 - Ethyl isopropyl ketone

Default Structure
ChEBI IDCHEBI:89215
ChEBI NameEthyl isopropyl ketone
Stars
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILESCCC(=O)C(C)C
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChIKeyHYTRYEXINDDXJK-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (17314143)
ChEBI Ontology
Outgoing Relation(s)
Ethyl isopropyl ketone (CHEBI:89215) is a ketone (CHEBI:17087)
Synonyms  Source
2-Methyl-3-pentanalHMDB
2-Methyl-3-pentanoneHMDB
2-methylpentan-3-oneHMDB
2-Methylpentan-3-oneHMDB
4-Methyl-3-pentanoneHMDB
Iso-C3H7COC2H5HMDB
Manual XrefsDatabases
2-Methyl-3-pentanoneWikipedia
HMDB0005846HMDB
Registry NumbersSources
CAS:565-69-5KEGG COMPOUND
Citations