Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43336
Common Name:	Methyprylon
Systematic Name:	3,3-diethyl-5-methylpiperidine-2,4-dione
RefMet Name:	Methyprylon
Synonyms:	[PubChem Synonyms]
Exact Mass:	183.1259 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H17NO2
InChIKey:	SIDLZWOQUZRBRU-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Piperidines [C0000195]
ClassyFire subclass:	Piperidinones [C0001581]
ClassyFire direct parent:	Piperidinediones [C0001582]
MoNA MS spectra:	View MS spectra
SMILES:	CCC1(CC)C(=O)C(C)CNC1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4162
CHEBI ID:	774741
HMDB ID:	HMDB0015239
Chemspider ID:	4018
EPA CompTox DB:	DTXCID303306
Plant Metabolite Hub(Pmhub):	MS000004643

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