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CHEBI:195497 - 1-hydroxy-3-methylbutan-2-one
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ChEBI Name
1-hydroxy-3-methylbutan-2-one
ChEBI ID
CHEBI:195497
Definition
A primary α-hydroxy ketone that is 3-methylbutane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Elisabeth COUDERT
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Formula
C5H10O2
Net Charge
0
Average Mass
102.133
Monoisotopic Mass
102.06808
InChI
InChI=1S/C5H10O2/c1-4(2)5(7)3-6/h4,6H,3H2,1-2H3
InChIKey
NBEGXSQMVJTIAR-UHFFFAOYSA-N
SMILES
CC(C)C(=O)CO
ChEBI Ontology
Outgoing
1-hydroxy-3-methylbutan-2-one (
CHEBI:195497
)
has functional parent
3-methylbutane-1,2-diol (
CHEBI:65058
)
1-hydroxy-3-methylbutan-2-one (
CHEBI:195497
)
has functional parent
butan-2-one (
CHEBI:28398
)
1-hydroxy-3-methylbutan-2-one (
CHEBI:195497
)
is a
primary α-hydroxy ketone (
CHEBI:139590
)
IUPAC Name
1-hydroxy-3-methylbutan-2-one
Synonyms
Sources
1-hydroxy-3-methyl-2-butanone
NIST Chemistry WebBook
1-hydroxy-3-methylbutan-2-one
UniProt
Registry Number
Type
Source
36960-22-2
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
18605720
PubMed citation
Europe PMC
Last Modified
15 August 2023