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> Main
CHEBI:16444 - 2-acetyllactic acid
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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
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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 (Br
o
nsted 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
(2
S
)-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