Metabolomics Structure Database
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MW REGNO: | 38123 |
Common Name: | Imidazolelactic acid |
Systematic Name: | 2-hydroxy-3-(1H-imidazol-1-yl)propanoic acid |
RefMet Name: | Imidazolelactic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H8N2O3 |
InChIKey: | JTYMXXCJQKGGFG-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(C(=O)O)O)cn1 |
Studies: | Available studies (via RefMet name) |
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External database links:
PubChem CID: | 459122 |
CHEBI ID: | 27487 |
HMDB ID: | HMDB0002320 |
KEGG ID: | C05568 |
Chemspider ID: | 404046 |
METLIN ID: | 6617 |
Plant Metabolite Hub(Pmhub): | MS000000380 |
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