CHEBI:50129 - 2-hydroxyisobutyric acid

ChEBI IDCHEBI:50129
ChEBI Name2-hydroxyisobutyric acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether.
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H8O3
Net Charge0
Average Mass104.105
Monoisotopic Mass104.04734
SMILESCC(C)(O)C(=O)O
InChIInChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
InChIKeyBWLBGMIXKSTLSX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyisobutyric acid (CHEBI:50129) has functional parent isobutyric acid (CHEBI:16135)
2-hydroxyisobutyric acid (CHEBI:50129) has role human xenobiotic metabolite (CHEBI:76967)
2-hydroxyisobutyric acid (CHEBI:50129) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
2-hydroxyisobutyric acid (CHEBI:50129) is conjugate acid of 2-hydroxyisobutyrate (CHEBI:19641)
Incoming Relation(s)
1,30-diacetyltrichagmalin F (CHEBI:68369) has functional parent 2-hydroxyisobutyric acid (CHEBI:50129)
30-acetyltrichagmalin F (CHEBI:68368) has functional parent 2-hydroxyisobutyric acid (CHEBI:50129)
trichagmalin F (CHEBI:68367) has functional parent 2-hydroxyisobutyric acid (CHEBI:50129)
2-hydroxyisobutyrate (CHEBI:19641) is conjugate base of 2-hydroxyisobutyric acid (CHEBI:50129)
IUPAC Name 
2-hydroxy-2-methylpropanoic acid
Synonyms  Source
2-Hydroxyisobutyric acidChemIDplus
2-Hydroxy-2-methylpropionic acidChemIDplus
2-Methyllactic acidChemIDplus
Acetonic acidChemIDplus
Hydroxydimethylacetic acidHMDB
α-hydroxyisobutyric acidNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0000729HMDB
WO2009135074Patent
Registry NumbersSources
Reaxys:1744739Reaxys
CAS:594-61-6ChemIDplus
CAS:594-61-6NIST Chemistry WebBook
Citations