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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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