CHEBI:28104 - 1-methylimidazole-4-acetaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-methylimidazole-4-acetaldehyde
ChEBI ID CHEBI:28104
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:644, CHEBI:1605, CHEBI:19063, CHEBI:20135
Supplier Information
Download Molfile XML SDF
Formula C6H8N2O
Net Charge 0
Average Mass 124.14060
Monoisotopic Mass 124.06366
InChI InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3
InChIKey GCQHUBANENYTLB-UHFFFAOYSA-N
SMILES Cn1cnc(CC=O)c1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-methylimidazole-4-acetaldehyde (CHEBI:28104) has role human metabolite (CHEBI:77746)
1-methylimidazole-4-acetaldehyde (CHEBI:28104) has role mouse metabolite (CHEBI:75771)
1-methylimidazole-4-acetaldehyde (CHEBI:28104) is a α-CH2-containing aldehyde (CHEBI:73359)
1-methylimidazole-4-acetaldehyde (CHEBI:28104) is a imidazolylacetaldehyde (CHEBI:24779)
IUPAC Name
(1-methyl-1H-imidazol-4-yl)acetaldehyde
Synonyms Sources
1-Methylimidazole-4-acetaldehyde KEGG COMPOUND
Methylimidazole acetaldehyde KEGG COMPOUND
Methylimidazoleacetaldehyde KEGG COMPOUND
Manual Xref Database
C05827 KEGG COMPOUND
View more database links
Registry Number Type Source
19639-03-3 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016