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 No supplier information found for this compound.
Download Molfile XML SDF
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.
View more via ChEBI Ontology
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-hydroxy-4-methylpentanoate UniProt
2-hydroxyisocaproate ChEBI
α-hydroxyisocaproate ChEBI
Registry Number Type Source
5729843 Reaxys Registry Number Reaxys
Last Modified
09 November 2021