Metabolomics Structure Database
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MW REGNO: | 68637 |
Common Name: | 3-imidazol-1-yl-2-oxopropanoic acid |
Systematic Name: | 3-imidazol-1-yl-2-oxo-propanoic acid |
RefMet Name: | 3-Imidazol-1-yl-2-oxopropanoic acid |
Synonyms: | 3-Imidazole-2-oxopropanoate; AC1L98P4; 3-imidazol-1-yl-2-oxopropanoic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H6N2O3 |
InChIKey: | TZKAUGKXAWURCX-UHFFFAOYSA-N |
ClassyFire superclass: | Organoheterocyclic compounds [C0000002] |
ClassyFire class: | Azoles [C0000436] |
ClassyFire subclass: | Imidazoles [C0000078] |
ClassyFire direct parent: | Imidazolyl carboxylic acids and derivatives [C0001227] |
SMILES: | c1cn(CC(=O)C(=O)O)cn1 |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 440112 |
KEGG ID: | C03762 |
Plant Metabolite Hub(Pmhub): | MS000018068 |
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