CHEBI:18064 - 3-hydroxyisobutyric acid

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ChEBI Name 3-hydroxyisobutyric acid
ChEBI ID CHEBI:18064
Definition A 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1516
Supplier Information
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Formula C4H8O3
Net Charge 0
Average Mass 104.10452
Monoisotopic Mass 104.04734
InChI InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey DBXBTMSZEOQQDU-UHFFFAOYSA-N
SMILES CC(CO)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 )
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ChEBI Ontology
Outgoing 3-hydroxyisobutyric acid (CHEBI:18064) has functional parent propionic acid (CHEBI:30768)
3-hydroxyisobutyric acid (CHEBI:18064) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
3-hydroxyisobutyric acid (CHEBI:18064) is conjugate acid of 3-hydroxyisobutyrate (CHEBI:11805)
Incoming (S)-3-hydroxyisobutyric acid (CHEBI:37373) is a 3-hydroxyisobutyric acid (CHEBI:18064)
3-hydroxyisobutyrate (CHEBI:11805) is conjugate base of 3-hydroxyisobutyric acid (CHEBI:18064)
IUPAC Name
3-hydroxy-2-methylpropanoic acid
Synonyms Sources
2-methyl-3-hydroxypropanoic acid ChEBI
3-Hydroxyisobutyric acid KEGG COMPOUND
HIBA ChEBI
Manual Xref Database
C01188 KEGG COMPOUND
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Registry Numbers Types Sources
1745484 Beilstein Registry Number Beilstein
2068-83-9 CAS Registry Number KEGG COMPOUND
Last Modified
23 June 2015