CHEBI:16444 - 2-acetyllactic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-acetyllactic acid
ChEBI ID CHEBI:16444
Definition A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:983, CHEBI:11495, CHEBI:19433
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C5H8O4
Net Charge 0
Average Mass 132.11462
Monoisotopic Mass 132.04226
InChI InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)
InChIKey NMDWGEGFJUBKLB-UHFFFAOYSA-N
SMILES CC(=O)C(C)(O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-acetyllactic acid (CHEBI:16444) has functional parent butyric acid (CHEBI:30772)
2-acetyllactic acid (CHEBI:16444) has role mouse metabolite (CHEBI:75771)
2-acetyllactic acid (CHEBI:16444) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
2-acetyllactic acid (CHEBI:16444) is a 3-oxo monocarboxylic acid (CHEBI:47881)
2-acetyllactic acid (CHEBI:16444) is a tertiary α-hydroxy ketone (CHEBI:139592)
2-acetyllactic acid (CHEBI:16444) is conjugate acid of 2-acetyllactate (CHEBI:57774)
Incoming (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid (CHEBI:18409) is a 2-acetyllactic acid (CHEBI:16444)
2-acetyllactate (CHEBI:57774) is conjugate base of 2-acetyllactic acid (CHEBI:16444)
IUPAC Name
2-hydroxy-2-methyl-3-oxobutanoic acid
Synonym Source
2-Acetolactate KEGG COMPOUND
Manual Xrefs Databases
C00019658 KNApSAcK
C00900 KEGG COMPOUND
View more database links
Last Modified
06 February 2018