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CHEBI:39153 - 5-oxopentanoic acid

Default Structure
ChEBI IDCHEBI:39153
ChEBI Name5-oxopentanoic acid
Stars
DefinitionAn oxopentanoic acid with the oxo group in the 5-position.
Secondary ChEBI IDsCHEBI:2115, CHEBI:39151
Last Modified11 December 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
SMILES[H]C(=O)CCCC(=O)O
InChIInChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
InChIKeyVBKPPDYGFUZOAJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-oxopentanoic acid (CHEBI:39153) is a aldehydic acid (CHEBI:26643)
5-oxopentanoic acid (CHEBI:39153) is a oxopentanoic acid (CHEBI:25799)
5-oxopentanoic acid (CHEBI:39153) is a ω-oxo fatty acid (CHEBI:76328)
5-oxopentanoic acid (CHEBI:39153) is conjugate acid of 5-oxopentanoate (CHEBI:16120)
Incoming Relation(s)
1-O-hexadecyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine (CHEBI:142764) has functional parent 5-oxopentanoic acid (CHEBI:39153)
5-oxopentanoate (CHEBI:16120) is conjugate base of 5-oxopentanoic acid (CHEBI:39153)
IUPAC Name 
5-oxopentanoic acid
Synonyms  Source
2-formylethylacetic acidChEBI
4-formylbutyric acidChemIDplus
5-OxopentanoateKEGG COMPOUND
5-Oxo-valeriansäureChEBI
5-oxo-valeric acidChEBI
5-oxovaleric acidChEBI
Manual XrefsDatabases
C03273KEGG COMPOUND
LMFA01060161LIPID MAPS
Registry NumbersSources
Beilstein:1747012Beilstein
Reaxys:1747012Reaxys
CAS:5746-02-1ChemIDplus