Metabolomics Structure Database

 
MW REGNO: 37931
Common Name:Naproxen
Systematic Name:(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
RefMet Name:Naproxen
Synonyms: [PubChem Synonyms]
Exact Mass:
230.0943 (neutral)    Calculate m/z:
Formula:C14H14O3
InChIKey:CMWTZPSULFXXJA-VIFPVBQESA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Naphthalenes [C0000023]
ClassyFire subclass:Naphthalenes [C0000023]
ClassyFire direct parent:Aromatic homopolycyclic compounds
MoNA MS spectra:View MS spectra
SMILES:COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:156391
CHEBI ID:7476
HMDB ID:HMDB0001923
KEGG ID:C01517
Chemspider ID:137720
METLIN ID:1461
EPA CompTox DB:DTXCID80197068
Plant Metabolite Hub(Pmhub):MS000001071

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

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