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CHEBI:45630 - 4-oxopentanoic acid

ChEBI IDCHEBI:45630
ChEBI Name4-oxopentanoic acid
Stars
DefinitionAn oxopentanoic acid with the oxo group in the 4-position.
Secondary ChEBI IDsCHEBI:39149, CHEBI:45628
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
SMILESCC(=O)CCC(=O)O
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyJOOXCMJARBKPKM-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Pleione bulbocodioides (ncbitaxon:141752) - PubMed (23627123)
Roles Classification

ChEBI Ontology
IUPAC Name 
4-oxopentanoic acid
Synonyms  Source
β-acetylpropionic acidNIST Chemistry WebBook
LAEVULINIC ACIDPDBeChem
levulinic acidChemIDplus
γ-ketovaleric acidNIST Chemistry WebBook
3-acetylpropionic acidChemIDplus
4-ketovaleric acidChemIDplus
Manual XrefsDatabases
SHFPDBeChem
LMFA01060006LIPID MAPS
DB02239DrugBank
Levulinic_acidWikipedia
HMDB0000720HMDB
Registry NumbersSources
Beilstein:506796Beilstein
Gmelin:164703Gmelin
Reaxys:506796Reaxys
CAS:123-76-2NIST Chemistry WebBook
CAS:123-76-2ChemIDplus
Citations