CHEBI:133577 - 2-hydroxy-4-methylvalerate

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ChEBI Name 2-hydroxy-4-methylvalerate
ChEBI ID CHEBI:133577
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H11O3
Net Charge -1
Average Mass 131.150
Monoisotopic Mass 131.07137
InChI InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1
InChIKey LVRFTAZAXQPQHI-UHFFFAOYSA-M
SMILES C(C(C([O-])=O)O)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 (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 Sources
2-hydroxyisocaproate ChEBI
α-hydroxyisocaproate ChEBI
Registry Number Type Source
5729843 Reaxys Registry Number Reaxys
Last Modified
11 October 2016