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CHEBI:167872 - 2,2-dihydroxy-3-methylbutanoate

ChEBI IDCHEBI:167872
ChEBI Name2,2-dihydroxy-3-methylbutanoate
Stars
DefinitionA 2-hydroxy fatty acid anion that is the conjugate base of 2,2-dihydroxy-3-methylbutanoic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified31 October 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9O4
Net Charge-1
Average Mass133.123
Monoisotopic Mass133.05063
SMILESCC(C)C(O)(O)C(=O)[O-]
InChIInChI=1S/C5H10O4/c1-3(2)5(8,9)4(6)7/h3,8-9H,1-2H3,(H,6,7)/p-1
InChIKeyCTMXBOCTJPQVDZ-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) HAP-1 (BTO:0003618) MetaboLights (MTBLS2205)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) has role human metabolite (CHEBI:77746)
2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) is a 2-hydroxy fatty acid anion (CHEBI:76176)
2,2-dihydroxy-3-methylbutanoate (CHEBI:167872) is conjugate base of 2,2-dihydroxy-3-methylbutanoic acid (CHEBI:167881)
Incoming Relation(s)
2,2-dihydroxy-3-methylbutanoic acid (CHEBI:167881) is conjugate acid of 2,2-dihydroxy-3-methylbutanoate (CHEBI:167872)
IUPAC Name 
2,2-dihydroxy-3-methylbutanoate
Synonyms  Source
dihydroxyisovalerateChEBI
2,2-dihydroxyisovalerateChEBI
Manual XrefsDatabases
15709970ChemSpider