Metabolomics Structure Database

 
MW REGNO: 50484
Common Name:N-acetoxy-1,1'-biphenyl-4-amine
Systematic Name:O-acetyl-N-([1,1'-biphenyl]-4-yl)hydroxylamine
Synonyms:N-acetoxy-4-aminobiphenyl; N-hydroxy-4-aminobiphenyl O-acetylated conjugate [PubChem Synonyms]
Exact Mass:
227.0946 (neutral)    Calculate m/z:
Formula:C14H13NO2
InChIKey:NRUZSSFWZUVQMS-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Biphenyls and derivatives [C0000041]
ClassyFire direct parent:Biphenyls and derivatives [C0000041]
SMILES:CC(=O)ONc1ccc(cc1)c1ccccc1
Studies:Available studies(via PubChem CID)

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Human Pathway links:

REACTOME pathways containing this metabolite

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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