EMBL-EBI | Chemical Biology Resources | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53338 - 3-hydroxy-3-methyl-2-oxopentanoate

Default Structure
ChEBI IDCHEBI:53338
ChEBI Name3-hydroxy-3-methyl-2-oxopentanoate
Stars
DefinitionThe conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid.
Last Modified22 July 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9O4
Net Charge-1
Average Mass145.134
Monoisotopic Mass145.05063
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)/p-1
InChIKeyYJVOWRAWFXRESP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) has functional parent valerate (CHEBI:31011)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is a branched-chain saturated fatty acid anion (CHEBI:58956)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) is conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710)
Incoming Relation(s)
(R)-3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:49257) is a 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338)
(S)-3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:27765) is a 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) is conjugate acid of 3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338)
IUPAC Name 
3-hydroxy-3-methyl-2-oxopentanoate
Synonym  Source
3-hydroxy-3-methyl-2-oxovalerateChEBI
Manual XrefsDatabases
C04237KEGG COMPOUND