Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	187685
Common Name:	Pyrrolidine
Systematic Name:	Pyrrolidine
RefMet Name:	Pyrrolidine
Synonyms:	Azacyclopentane [PubChem Synonyms]
Exact Mass:	71.0735 (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:	C4H9N
InChIKey:	RWRDLPDLKQPQOW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds
ClassyFire class:	Pyrrolidines
ClassyFire subclass:	Pyrrolidines
ClassyFire direct parent:	Pyrrolidines
SMILES:	C1CCNC1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	31268
CHEBI ID:	33135
HMDB ID:	HMDB0031641
Plant Metabolite Hub(Pmhub):	MS000007671

Calculated physicochemical properties:

No data available

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