Metabolomics Structure Database

 
MW REGNO: 38486
Common Name:Methylimidazole acetaldehyde
Systematic Name:2-(1-methyl-1H-imidazol-4-yl)acetaldehyde
RefMet Name:Methylimidazole acetaldehyde
Synonyms: [PubChem Synonyms]
Exact Mass:
124.0637 (neutral)    Calculate m/z:
Formula:C6H8N2O
InChIKey:GCQHUBANENYTLB-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Azoles [C0000436]
ClassyFire subclass:Imidazoles [C0000078]
ClassyFire direct parent:N-substituted imidazoles [C0002311]
SMILES:Cn1cc(CC=O)nc1
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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