CHEBI:41268 - 4-hydroxybutan-2-one

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ChEBI Name 4-hydroxybutan-2-one
ChEBI ID CHEBI:41268
Definition A β-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H8O2
Net Charge 0
Average Mass 88.10510
Monoisotopic Mass 88.05243
InChI InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
InChIKey LVSQXDHWDCMMRJ-UHFFFAOYSA-N
SMILES CC(=O)CCO
ChEBI Ontology
Outgoing 4-hydroxybutan-2-one (CHEBI:41268) has functional parent butan-2-one (CHEBI:28398)
4-hydroxybutan-2-one (CHEBI:41268) is a β-hydroxy ketone (CHEBI:55380)
4-hydroxybutan-2-one (CHEBI:41268) is a methyl ketone (CHEBI:51867)
Synonyms Sources
3-Oxo-1-butanol ChemIDplus
3-Oxobutanol ChemIDplus
4-hydroxybutan-2-one UniProt
Manual Xref Database
BUQ PDBeChem
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Registry Numbers Types Sources
1737666 Reaxys Registry Number Reaxys
590-90-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20924954 PubMed citation Europe PMC
Last Modified
20 July 2023