CHEBI:17158 - methylglyoxal

ChEBI IDCHEBI:17158
ChEBI Namemethylglyoxal
Stars
DefinitionA 2-oxo aldehyde derived from propanal.
Secondary ChEBI IDsCHEBI:6875, CHEBI:11643, CHEBI:14599, CHEBI:25303
Last Modified8 August 2018
DownloadsMolfile
FormulaC3H4O2
Net Charge0
Average Mass72.063
Monoisotopic Mass72.02113
SMILES[H]C(=O)C(C)=O
InChIInChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKeyAIJULSRZWUXGPQ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
methylglyoxal (CHEBI:17158) has role Escherichia coli metabolite (CHEBI:76971)
methylglyoxal (CHEBI:17158) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
methylglyoxal (CHEBI:17158) has role human metabolite (CHEBI:77746)
methylglyoxal (CHEBI:17158) has role mouse metabolite (CHEBI:75771)
methylglyoxal (CHEBI:17158) is a 2-oxo aldehyde (CHEBI:27659)
methylglyoxal (CHEBI:17158) is a propanals (CHEBI:26282)
Incoming Relation(s)
mitoguazone (CHEBI:43996) has functional parent methylglyoxal (CHEBI:17158)
IUPAC Name 
2-oxopropanal
Synonyms  Source
MethylglyoxalKEGG COMPOUND
PyruvaldehydeKEGG COMPOUND
Pyruvic aldehydeKEGG COMPOUND
2-KetopropionaldehydeKEGG COMPOUND
2-OxopropanalKEGG COMPOUND
α-ketopropionaldehydeNIST Chemistry WebBook
UniProt Name  Source
methylglyoxalUniProt
Manual XrefsDatabases
C00546KEGG COMPOUND
MethylglyoxalWikipedia
C00007562KNApSAcK
Registry NumbersSources
Reaxys:906750Reaxys
CAS:78-98-8KEGG COMPOUND
CAS:78-98-8ChemIDplus
CAS:78-98-8NIST Chemistry WebBook
Citations