Metabolomics Structure Database
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MW REGNO: | 50789 |
Common Name: | Diethyl (2R,3R)-2-hydroxy-3-methylsuccinate |
Systematic Name: | diethyl (2R,3R)-2-hydroxy-3-methylbutanedioate |
Synonyms: | diethyl (2R,3R)-2-methyl-3-hydroxysuccinate [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H16O5 |
InChIKey: | UNVUFOXAXGOVFT-RNFRBKRXSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Hydroxy acids and derivatives [C0000472] |
ClassyFire subclass: | Beta hydroxy acids and derivatives [C0001713] |
ClassyFire direct parent: | Beta hydroxy acids and derivatives [C0001713] |
SMILES: | C[C@@H]([C@H](O)C(=O)OCC)C(=O)OCC |
Studies: | Available studies(via PubChem CID) |
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External database links:
PubChem CID: | 440395 |
CHEBI ID: | 17132 |
MetaCyc ID: | DIETHYL-2R3R-2-METHYL-3-HYDROXYSUCCIN |
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