Metabolomics Structure Database
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MW REGNO: | 68493 |
Common Name: | alpha-Amino-beta-benzoylpropionic acid |
Systematic Name: | 2-amino-4-oxo-4-phenyl-butanoic acid |
Synonyms: | (3-Arylcarbonyl)-alanine; C03450; SureCN2860324; AC1L94A6 [PubChem Synonyms] |
Exact Mass: | |
Formula: | C10H11NO3 |
InChIKey: | QXRCVKLRAOSZCP-UHFFFAOYSA-N |
ClassyFire superclass: | Organic oxygen compounds [C0004603] |
ClassyFire class: | Organooxygen compounds [C0000323] |
ClassyFire subclass: | Carbonyl compounds [C0001831] |
ClassyFire direct parent: | Alkyl-phenylketones [C0004298] |
SMILES: | NC(CC(=O)c1ccccc1)C(O)=O |
Studies: | Available studies(via PubChem CID) |
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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