EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:15347 - acetone

ChEBI IDCHEBI:15347
ChEBI Nameacetone
Stars
DefinitionA methyl ketone that consists of propane bearing an oxo group at C2.
Secondary ChEBI IDsCHEBI:2398, CHEBI:13708, CHEBI:22182, CHEBI:40571
Last Modified10 July 2017
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC3H6O
Net Charge0
Average Mass58.080
Monoisotopic Mass58.04186
SMILESCC(C)=O
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification

ChEBI Ontology
IUPAC Name 
propan-2-one
Synonyms  Source
AcetoneKEGG COMPOUND
Dimethyl ketoneKEGG COMPOUND
2-PropanoneKEGG COMPOUND
ACETONEPDBeChem
methyl ketoneChemIDplus
Aceton  deChemIDplus
UniProt Name  Source
acetoneUniProt
Manual XrefsDatabases
C00207KEGG COMPOUND
c0556UM-BBD
ACNPDBeChem
AcetoneWikipedia
ACETONEMetaCyc
HMDB0001659HMDB
D02311KEGG DRUG
LMFA12000057LIPID MAPS
Registry NumbersSources
Gmelin:1466Gmelin
Reaxys:635680Reaxys
CAS:67-64-1KEGG COMPOUND
CAS:67-64-1NIST Chemistry WebBook
CAS:67-64-1ChemIDplus
Citations