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CHEBI:41268 - 4-hydroxybutan-2-one

ChEBI IDCHEBI:41268
ChEBI Name4-hydroxybutan-2-one
Stars
DefinitionA β-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.
Last Modified20 July 2023
DownloadsMolfile
FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILESCC(=O)CCO
InChIInChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
InChIKeyLVSQXDHWDCMMRJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxybutan-2-one (CHEBI:41268) has functional parent butan-2-one (CHEBI:28398)
4-hydroxybutan-2-one (CHEBI:41268) is a methyl ketone (CHEBI:51867)
4-hydroxybutan-2-one (CHEBI:41268) is a β-hydroxy ketone (CHEBI:55380)
Synonyms  Source
3-Oxo-1-butanolChemIDplus
3-OxobutanolChemIDplus
UniProt Name  Source
4-hydroxybutan-2-oneUniProt
Manual XrefsDatabases
BUQPDBeChem
Registry NumbersSources
Reaxys:1737666Reaxys
CAS:590-90-9ChemIDplus
Citations