Metabolomics Structure Database

 
MW REGNO: 114692
Common Name:N-Acetyl-tyramine
Systematic Name:N-[2-(4-hydroxyphenyl)ethyl]acetamide
Synonyms: [PubChem Synonyms]
Exact Mass:
179.0946 (neutral)    Calculate m/z:
Formula:C10H13NO2
InChIKey:ATDWJOOPFDQZNK-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenols [C0000134]
ClassyFire subclass:1-hydroxy-2-unsubstituted benzenoids [C0004646]
SMILES:CC(=O)NCCc1ccc(cc1)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:121051
Natural Products Atlas ID:NPA004555
Plant Metabolite Hub(Pmhub):MS000005026

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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