Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NHOOOHOOH
MW REGNO: 203246
Common Name:NA-2AAA 16:0
Systematic Name:N-(hexadecanoyl)-2-aminoadipic acid
RefMet Name:NA-2AAA 16:0
Synonyms: [PubChem Synonyms]
Exact Mass:
399.2985 (neutral)    Calculate m/z:
Formula:C22H41NO5
InChIKey:SPUWGNBEOUVDRW-LJQANCHMSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty amides [FA08]
LIPID MAPS subclass:N-acyl amines [FA0802]
SMILES:CCCCCCCCCCCCCCCC(=O)N[C@H](CCCC(=O)O)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:171117291

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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