CHEBI:50129 - 2-hydroxyisobutyric acid

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ChEBI Name 2-hydroxyisobutyric acid
ChEBI ID CHEBI:50129
Definition A 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H8O3
Net Charge 0
Average Mass 104.10450
Monoisotopic Mass 104.047
InChI InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
InChIKey BWLBGMIXKSTLSX-UHFFFAOYSA-N
SMILES CC(C)(O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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 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 Sources
2-Hydroxy-2-methylpropionic acid ChemIDplus
2-Hydroxy-2-methylpropionsäure ChEBI
2-Hydroxyisobutyric acid ChemIDplus
2-methyl-2-hydroxypropanoic acid ChEBI
2-Methyl-2-hydroxypropionsäure ChEBI
2-Methyllactic acid ChemIDplus
Acetonic acid ChemIDplus
acide 2-hydroxy-2-méthylpropanoïque ChEBI
ácido 2-hidroxi-2-metilpropionico ChEBI
α-hydroxy-α-methylpropanoic acid ChEBI
α-hydroxy-α-methylpropionic acid HMDB
α-hydroxyisobutanoic acid HMDB
α-hydroxyisobutyric acid NIST Chemistry WebBook
HIBA HMDB
Hydroxydimethylacetic acid HMDB
Manual Xrefs Databases
HMDB0000729 HMDB
WO2009135074 Patent
View more database links
Registry Numbers Types Sources
1744739 Beilstein Registry Number Beilstein
1744739 Reaxys Registry Number Reaxys
594-61-6 CAS Registry Number NIST Chemistry WebBook
594-61-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12563344 PubMed citation Europe PMC
12775515 PubMed citation Europe PMC
17190852 PubMed citation Europe PMC
20184738 PubMed citation Europe PMC
Last Modified
23 October 2015