EMBL-EBI | Chemical Biology Resources | ChEBI

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

CHEBI:194520 - 3,5-dihydroxy-3-methylpentanoate

Default Structure
ChEBI IDCHEBI:194520
ChEBI Name3,5-dihydroxy-3-methylpentanoate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of 3,5-dihydroxy-3-methylpentanoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified23 March 2023
SubmitterAdnan
DownloadsMolfile
FormulaC6H11O4
Net Charge-1
Average Mass147.150
Monoisotopic Mass147.06628
SMILESCC(O)(CCO)CC(=O)[O-]
InChIInChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1
InChIKeyKJTLQQUUPVSXIM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) has functional parent valerate (CHEBI:31011)
3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) is conjugate base of 3,5-dihydroxy-3-methylpentanoic acid (CHEBI:194519)
Incoming Relation(s)
(R)-mevalonate (CHEBI:36464) is a 3,5-dihydroxy-3-methylpentanoate (CHEBI:194520)
(S)-mevalonate (CHEBI:18790) is a 3,5-dihydroxy-3-methylpentanoate (CHEBI:194520)
3,5-dihydroxy-3-methylpentanoic acid (CHEBI:194519) is conjugate acid of 3,5-dihydroxy-3-methylpentanoate (CHEBI:194520)
IUPAC Name 
3,5-dihydroxy-3-methylpentanoate
Synonyms  Source
2,4-dideoxy-3-C-methylpentonateChEBI
3,5-dihydroxy-3-methylvalerateChEBI
β,δ-dihydroxy-β-methylvalerateChEBI