CHEBI:27401 - 3-oxopentanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxopentanoic acid
ChEBI ID CHEBI:27401
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1648
Supplier Information
Download Molfile XML SDF
Formula C5H8O3
Net Charge 0
Average Mass 116.11522
Monoisotopic Mass 116.04734
InChI InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey FHSUFDYFOHSYHI-UHFFFAOYSA-N
SMILES CCC(=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxopentanoic acid (CHEBI:27401) is a 3-oxo fatty acid (CHEBI:134416)
3-oxopentanoic acid (CHEBI:27401) is a oxopentanoic acid (CHEBI:25799)
3-oxopentanoic acid (CHEBI:27401) is conjugate acid of 3-oxopentanoate (CHEBI:20177)
Incoming 3-oxopentanoate (CHEBI:20177) is conjugate base of 3-oxopentanoic acid (CHEBI:27401)
IUPAC Name
3-oxopentanoic acid
Synonyms Sources
3-Oxopentanoate KEGG COMPOUND
3-Oxopentanoic acid KEGG COMPOUND
3-oxovaleric acid ChEBI
Manual Xrefs Databases
C02233 KEGG COMPOUND
LMFA01060005 LIPID MAPS
View more database links
Registry Number Type Source
1748703 Beilstein Registry Number Beilstein
Last Modified
06 February 2017