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CHEBI:133577 - 2-hydroxy-4-methylvalerate

ChEBI IDCHEBI:133577
ChEBI Name2-hydroxy-4-methylvalerate
Stars
DefinitionA 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxy-4-methylvaleric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 November 2021
Submitterjjtluanloet
DownloadsMolfile
FormulaC6H11O3
Net Charge-1
Average Mass131.151
Monoisotopic Mass131.07137
SMILESCC(C)CC(O)C(=O)[O-]
InChIInChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1
InChIKeyLVRFTAZAXQPQHI-UHFFFAOYSA-M
Roles Classification
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-4-methylvalerate (CHEBI:133577) has functional parent valeric acid (CHEBI:17418)
2-hydroxy-4-methylvalerate (CHEBI:133577) has role metabolite (CHEBI:25212)
2-hydroxy-4-methylvalerate (CHEBI:133577) is a 2-hydroxy fatty acid anion (CHEBI:76176)
2-hydroxy-4-methylvalerate (CHEBI:133577) is a methyl-branched fatty acid anion (CHEBI:67013)
2-hydroxy-4-methylvalerate (CHEBI:133577) is conjugate base of 2-hydroxy-4-methylvaleric acid (CHEBI:59783)
Incoming Relation(s)
(R)-2-hydroxy-4-methylpentanoate (CHEBI:55535) is a 2-hydroxy-4-methylvalerate (CHEBI:133577)
2-hydroxy-4-methylvaleric acid (CHEBI:59783) is conjugate acid of 2-hydroxy-4-methylvalerate (CHEBI:133577)
IUPAC Name 
2-hydroxy-4-methylpentanoate
Synonyms  Source
2-hydroxyisocaproateChEBI
α-hydroxyisocaproateChEBI
UniProt Name  Source
2-hydroxy-4-methylpentanoateUniProt
Registry NumbersSources
Reaxys:5729843Reaxys