CHEBI:68454 - 2-hydroxy-2-methylbutyric acid

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ChEBI Name 2-hydroxy-2-methylbutyric acid
ChEBI ID CHEBI:68454
Definition A branched-chain fatty acid that is 2-methylbutyric acid substituted at C-2 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H10O3
Net Charge 0
Average Mass 118.13110
Monoisotopic Mass 118.06299
InChI InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChIKey MBIQENSCDNJOIY-UHFFFAOYSA-N
SMILES CCC(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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-hydroxy-2-methylbutyric acid (CHEBI:68454) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-hydroxy-2-methylbutyric acid (CHEBI:68454) has role metabolite (CHEBI:25212)
2-hydroxy-2-methylbutyric acid (CHEBI:68454) is a 2-hydroxy fatty acid (CHEBI:10283)
2-hydroxy-2-methylbutyric acid (CHEBI:68454) is a branched-chain fatty acid (CHEBI:35819)
IUPAC Name
2-hydroxy-2-methylbutanoic acid
Manual Xrefs Databases
HMDB0001987 HMDB
LMFA01050389 LIPID MAPS
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Registry Numbers Types Sources
1721186 Reaxys Registry Number Reaxys
3739-30-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
23 October 2015