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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:19641 - 2-hydroxyisobutyrate
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ChEBI Name
2-hydroxyisobutyrate
ChEBI ID
CHEBI:19641
Definition
A hydroxy fatty acid anion that is the conjugate base of 2-hydroxyisobutyric acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C4H7O3
Net Charge
-1
Average Mass
103.09660
Monoisotopic Mass
103.04007
InChI
InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)/p-1
InChIKey
BWLBGMIXKSTLSX-UHFFFAOYSA-M
SMILES
CC(C)(O)C([O-])=O
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxyisobutyrate (
CHEBI:19641
)
has functional parent
isobutyrate (
CHEBI:48944
)
2-hydroxyisobutyrate (
CHEBI:19641
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
2-hydroxyisobutyrate (
CHEBI:19641
)
is a
2-hydroxy fatty acid anion (
CHEBI:76176
)
2-hydroxyisobutyrate (
CHEBI:19641
)
is conjugate base of
2-hydroxyisobutyric acid (
CHEBI:50129
)
Incoming
2-hydroxyisobutyric acid (
CHEBI:50129
)
is conjugate acid of
2-hydroxyisobutyrate (
CHEBI:19641
)
IUPAC Name
2-hydroxy-2-methylpropanoate
Synonyms
Sources
2-hydroxy-2-methylpropanoate
UniProt
α-hydroxy-α-methylpropanoate
ChEBI
α-hydroxy-α-methylpropionate
ChEBI
α-hydroxyisobutanoate
ChEBI
α-hydroxyisobutyrate
ChEBI
Registry Number
Type
Source
3903948
Reaxys Registry Number
Reaxys
Last Modified
31 May 2018