CHEBI:45630 - 4-oxopentanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-oxopentanoic acid
ChEBI ID CHEBI:45630
Definition An oxopentanoic acid with the oxo group in the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39149, CHEBI:45628
Supplier Information
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C5H8O3
Net Charge 0
Average Mass 116.11522
Monoisotopic Mass 116.047
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES CC(=O)CCC(O)=O
Metabolite of Species Details
Pleione bulbocodioides (NCBI:141752) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-oxopentanoic acid (CHEBI:45630) has role plant metabolite (CHEBI:76924)
4-oxopentanoic acid (CHEBI:45630) is a oxopentanoic acid (CHEBI:25799)
4-oxopentanoic acid (CHEBI:45630) is a straight-chain saturated fatty acid (CHEBI:39418)
4-oxopentanoic acid (CHEBI:45630) is conjugate acid of 4-oxopentanoate (CHEBI:39150)
Incoming 5-aminolevulinic acid (CHEBI:17549) has functional parent 4-oxopentanoic acid (CHEBI:45630)
4-oxopentanoate (CHEBI:39150) is conjugate base of 4-oxopentanoic acid (CHEBI:45630)
IUPAC Name
4-oxopentanoic acid
Synonyms Sources
3-acetylpropionic acid ChemIDplus
3-ketobutane-1-carboxylic acid ChemIDplus
4-ketovaleric acid ChemIDplus
4-oxovaleric acid NIST Chemistry WebBook
β-acetylpropionic acid NIST Chemistry WebBook
γ-ketovaleric acid NIST Chemistry WebBook
γ-ketovaleric acid ChEBI
LAEVULINIC ACID PDBeChem
Lävulinsäure ChEBI
LEVA ChemIDplus
levulic acid ChEBI
levulinic acid ChemIDplus
Levulinsäure ChEBI
Database Links Databases
DB02239 DrugBank
HMDB00720 HMDB
Levulinic_acid Wikipedia
LMFA01060006 LIPID MAPS
SHF PDBeChem
View more database links
Registry Numbers Types Sources
123-76-2 CAS Registry Number ChemIDplus
123-76-2 CAS Registry Number NIST Chemistry WebBook
164703 Gmelin Registry Number Gmelin
506796 Beilstein Registry Number Beilstein
506796 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13215009 PubMed citation Europe PMC
16662002 PubMed citation Europe PMC
19246769 PubMed citation Europe PMC
23627123 PubMed citation Europe PMC
Last Modified
23 October 2015