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CHEBI:60645 - 2-hydroxy-3-methylbutyric acid

ChEBI IDCHEBI:60645
ChEBI Name2-hydroxy-3-methylbutyric acid
Stars
DefinitionA valine derivative that is valine in which the amino group has been replaced by a hydroxy group.
Secondary ChEBI IDCHEBI:79022
Last Modified8 November 2017
SubmitterMarcus Ennis, namrata
DownloadsMolfile
FormulaC5H10O3
Net Charge0
Average Mass118.132
Monoisotopic Mass118.06299
SMILESCC(C)C(O)C(=O)O
InChIInChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChIKeyNGEWQZIDQIYUNV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17190852)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-methylbutyric acid (CHEBI:60645) has functional parent isovaleric acid (CHEBI:28484)
2-hydroxy-3-methylbutyric acid (CHEBI:60645) has role human metabolite (CHEBI:77746)
2-hydroxy-3-methylbutyric acid (CHEBI:60645) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
2-hydroxy-3-methylbutyric acid (CHEBI:60645) is conjugate acid of 2-hydroxy-3-methylbutyrate (CHEBI:64669)
Incoming Relation(s)
2-hydroxyisovaleryl-CoA (CHEBI:138964) has functional parent 2-hydroxy-3-methylbutyric acid (CHEBI:60645)
(R)-2-hydroxy-3-methylbutyric acid (CHEBI:46415) is a 2-hydroxy-3-methylbutyric acid (CHEBI:60645)
2-hydroxy-3-methylbutyrate (CHEBI:64669) is conjugate base of 2-hydroxy-3-methylbutyric acid (CHEBI:60645)
IUPAC Name 
2-hydroxy-3-methylbutanoic acid
Synonyms  Source
2-Hydroxyisovaleric acidChemIDplus
2-Hydroxyisopentanoic acidHMDB
3-Methyl-2-hydroxybutyric acidHMDB
α-hydroxyisovaleric acidHMDB
Manual XrefsDatabases
HMDB0000407HMDB
Registry NumbersSources
Reaxys:1721138Reaxys
CAS:4026-18-0ChemIDplus