Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69396
Common Name:	(+)-Prosopinine
Systematic Name:	12-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-piperidyl]dodecan-3-one
RefMet Name:	Prosopinine
Synonyms:	C10167; AC1L9D5W [PubChem Synonyms]
Exact Mass:	313.2617 (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:	C18H35NO3
InChIKey:	KYBOBXNXZQTAKA-NXHRZFHOSA-N
ClassyFire superclass:	Alkaloids and derivatives [C0000279]
SMILES:	CCC(=O)CCCCCCCCC[C@@H]1CC[C@@H]([C@@H](CO)N1)O
Studies:	Available studies (via RefMet name)

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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