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CHEBI:195497 - 1-hydroxy-3-methylbutan-2-one

ChEBI IDCHEBI:195497
ChEBI Name1-hydroxy-3-methylbutan-2-one
Stars
DefinitionA 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.
Last Modified15 August 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCC(C)C(=O)CO
InChIInChI=1S/C5H10O2/c1-4(2)5(7)3-6/h4,6H,3H2,1-2H3
InChIKeyNBEGXSQMVJTIAR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
1-hydroxy-3-methyl-2-butanoneNIST Chemistry WebBook
UniProt Name  Source
1-hydroxy-3-methylbutan-2-oneUniProt
Registry NumbersSources
CAS:36960-22-2NIST Chemistry WebBook
Citations