Metabolomics Structure Database

MW REGNO: 56807
Common Name:Levibuprofen
Systematic Name:(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
RefMet Name:Ibuprofen
Synonyms:(-)-ibuprofen; (2R)-2-(4-isobutylphenyl)propanoic acid; (R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid [PubChem Synonyms]
Exact Mass:
206.1307 (neutral)    Calculate m/z:
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Phenylpropanoic acids [C0002551]
ClassyFire subclass:Phenylpropanoic acids [C0002551]
ClassyFire direct parent:Aromatic homomonocyclic compounds
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:114864
CHEBI ID:47835
Plant Metabolite Hub(Pmhub):MS000003145


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