Metabolomics Structure Database
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MW REGNO: | 37238 |
Common Name: | 2-Methyl-3-ketovaleric acid |
Systematic Name: | 2-methyl-3-oxopentanoic acid |
RefMet Name: | 2-Methyl-3-ketovaleric acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H10O3 |
InChIKey: | QTLYPQZWYOHATR-UHFFFAOYSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Keto acids and derivatives [C0000389] |
ClassyFire subclass: | Short-chain keto acids and derivatives [C0001416] |
ClassyFire direct parent: | Short-chain keto acids and derivatives [C0001416] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | CCC(=O)C(C)C(=O)O |
Studies: | Available studies (via RefMet name) |
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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