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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
View more database links
Registry Numbers
Types
Sources
1737666
Reaxys Registry Number
Reaxys
590-90-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
20924954
PubMed citation
Europe PMC
Last Modified
20 July 2023