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CHEBI:27398 - imidazole-4-acetaldehyde

ChEBI IDCHEBI:27398
ChEBI Nameimidazole-4-acetaldehyde
Stars
Secondary ChEBI IDsCHEBI:5874, CHEBI:24775
Last Modified15 November 2016
DownloadsMolfile
FormulaC5H6N2O
Net Charge0
Average Mass110.116
Monoisotopic Mass110.04801
SMILESO=CCc1cncn1
InChIInChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
InChIKeyMQSRGWNVEZRLDK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
imidazole-4-acetaldehyde (CHEBI:27398) has role human metabolite (CHEBI:77746)
imidazole-4-acetaldehyde (CHEBI:27398) has role mouse metabolite (CHEBI:75771)
imidazole-4-acetaldehyde (CHEBI:27398) is a imidazolylacetaldehyde (CHEBI:24779)
imidazole-4-acetaldehyde (CHEBI:27398) is a α-CH2-containing aldehyde (CHEBI:73359)
IUPAC Name 
1H-imidazol-4-ylacetaldehyde
Synonyms  Source
Imidazole-4-acetaldehydeKEGG COMPOUND
Imidazole acetaldehydeKEGG COMPOUND
1H-Imidazole-4-acetaldehydeChemIDplus
UniProt Name  Source
imidazole-4-acetaldehydeUniProt
Manual XrefsDatabases
C05130KEGG COMPOUND
Registry NumbersSources
CAS:645-14-7ChemIDplus