Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	71245
Common Name:	Slaframine
Systematic Name:	[(1S,6S)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
RefMet Name:	Slaframine
Synonyms:	(-)-Slaframine; C06185 [PubChem Synonyms]
Exact Mass:	198.1368 (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:	C10H18N2O2
InChIKey:	YYIUHLPAZILPSG-SMILAEQMSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Indolizidines [C0000251]
ClassyFire subclass:	Indolizidines [C0000251]
ClassyFire direct parent:	Aliphatic heteropolycyclic compounds
SMILES:	CC(=O)O[C@H]1CCN2C[C@H](CCC12)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	49787007
KEGG ID:	C06185
Plant Metabolite Hub(Pmhub):	MS000019039

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