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

ChEBI IDCHEBI:68454
ChEBI Name2-hydroxy-2-methylbutyric acid
Stars
DefinitionA branched-chain fatty acid that is 2-methylbutyric acid substituted at C-2 by a hydroxy group.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC5H10O3
Net Charge0
Average Mass118.132
Monoisotopic Mass118.06299
SMILESCCC(C)(O)C(=O)O
InChIInChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChIKeyMBIQENSCDNJOIY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0001987HMDB
LMFA01050389LIPID MAPS
Registry NumbersSources
Reaxys:1721186Reaxys
CAS:3739-30-8ChemIDplus
Citations