Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:06:41 UTC
Update Date2025-01-16 01:36:01 UTC
Metabolite IDMMDBc0054317
Metabolite Identification
Common Nameacetylacetone
Description2,4-Pentanedione is found in papaya. 2,4-Pentanedione is isolated from ethereal oil of Pinus sylvestris (Scotch pine
Structure
Synonyms
ValueSource
2,4-DioxopentaneChEBI
2,4-PentadioneChEBI
ACACChEBI
AcetoacetoneChEBI
Acetyl 2-propanoneChEBI
CH3-CO-CH2-CO-CH3ChEBI
HacacChEBI
Pentan-2,4-dioneChEBI
AcetylacetoneKegg
2,4-PentandioneHMDB
4-Hydroxy-3-penten-2-oneHMDB
Acetyl acetoneHMDB
Acetyl-2-propanoneHMDB
Acetyl-acetoneHMDB
Benzil-related compound, 44HMDB
CH3COCH2COCH3HMDB
DiacetylmethaneHMDB
Pentane-2,4-dioneHMDB
PentanedioneHMDB
Pentanedione-2,4HMDB
Indium-111-acetylacetoneMeSH, HMDB
2,4-PentanedioneChEBI
Molecular FormulaC5H8O2
Average Mass100.1158
Monoisotopic Mass100.0524295
IUPAC Namepentane-2,4-dione
Traditional Nameacetylacetone
CAS Registry NumberNot Available
SMILES
CC(=O)CC(C)=O
InChI Identifier
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI KeyYRKCREAYFQTBPV-UHFFFAOYSA-N