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CHEBI:169371 - Ethyl levulinate

ChEBI IDCHEBI:169371
ChEBI NameEthyl levulinate
Stars
Last Modified21 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCCOC(=O)CCC(C)=O
InChIInChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKeyGMEONFUTDYJSNV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ethyl levulinate (CHEBI:169371) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
ethyl 4-oxopentanoate
Synonym  Source
OI1700000ChEBI
Manual XrefsDatabases
13853514ChemSpider
BKQPDBeChem
HMDB0040433HMDB
Registry NumbersSources
CAS:539-88-8ChemIDplus