EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57700 - 2-methyl-3-oxopropanoate

ChEBI IDCHEBI:57700
ChEBI Name2-methyl-3-oxopropanoate
Stars
DefinitionThe conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3.
Last Modified22 October 2014
DownloadsMolfile
FormulaC4H5O3
Net Charge-1
Average Mass101.081
Monoisotopic Mass101.02442
SMILESCC(C=O)C(=O)[O-]
InChIInChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1
InChIKeyVOKUMXABRRXHAR-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methyl-3-oxopropanoate (CHEBI:57700) has role human metabolite (CHEBI:77746)
2-methyl-3-oxopropanoate (CHEBI:57700) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
2-methyl-3-oxopropanoate (CHEBI:57700) is conjugate base of 2-methyl-3-oxopropanoic acid (CHEBI:16256)
Incoming Relation(s)
(R)-methylmalonate semialdehyde (CHEBI:141212) is a 2-methyl-3-oxopropanoate (CHEBI:57700)
(S)-methylmalonate semialdehyde (CHEBI:62413) is a 2-methyl-3-oxopropanoate (CHEBI:57700)
2-methyl-3-oxopropanoic acid (CHEBI:16256) is conjugate acid of 2-methyl-3-oxopropanoate (CHEBI:57700)
IUPAC Name 
2-methyl-3-oxopropanoate
UniProt Name  Source
2-methyl-3-oxopropanoateUniProt