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CHEBI:28710 - 3-hydroxy-3-methyl-2-oxopentanoic acid

ChEBI IDCHEBI:28710
ChEBI Name3-hydroxy-3-methyl-2-oxopentanoic acid
Stars
DefinitionA 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid.
Secondary ChEBI IDsCHEBI:1523, CHEBI:20041
Last Modified6 February 2018
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCCC(C)(O)C(=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
InChIKeyYJVOWRAWFXRESP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) has functional parent valeric acid (CHEBI:17418)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a hydroxy fatty acid (CHEBI:24654)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a oxo fatty acid (CHEBI:59644)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is a tertiary α-hydroxy ketone (CHEBI:139592)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is conjugate acid of 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338)
Incoming Relation(s)
(R)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:34008) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
(S)-3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:53335) is a 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
IUPAC Name 
3-hydroxy-3-methyl-2-oxopentanoic acid
Synonyms  Source
3-Hydroxy-3-methyl-2-oxopentanoic acidKEGG COMPOUND
3-Hydroxy-3-methyl-2-oxopentanoateKEGG COMPOUND
Manual XrefsDatabases
C04237KEGG COMPOUND
LMFA01020278LIPID MAPS