Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	144434
Common Name:	Solenopsin
Systematic Name:	(2R,6R)-2-methyl-6-undecylpiperidine
Synonyms:	[PubChem Synonyms]
Exact Mass:	253.2769 (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:	C17H35N
InChIKey:	AYJGABFBAYKWDX-IAGOWNOFSA-N
ClassyFire superclass:	Alkaloids and derivatives [C0000279]
ClassyFire direct parent:	Alkaloids and derivatives [C0000279]
SMILES:	CCCCCCCCCCC[C@@H]1CCC[C@@H](C)N1
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	72523
EPA CompTox DB:	DTXCID001004247

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