Metabolomics Structure Database

 
MW REGNO: 37204
Common Name:3-Amino-2-piperidone
Systematic Name:3-aminopiperidin-2-one
RefMet Name:3-Amino-2-piperidone
Synonyms: [PubChem Synonyms]
Exact Mass:
114.0793 (neutral)    Calculate m/z:
Formula:C5H10N2O
InChIKey:YCCMTCQQDULIFE-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Alpha amino acid amides [C0002309]
MoNA MS spectra:View MS spectra
SMILES:C1CC(C(=O)NC1)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5200225
HMDB ID:HMDB0000323
Chemspider ID:4371576
METLIN ID:5312
Plant Metabolite Hub(Pmhub):MS000082710

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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