Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87122
Common Name:	Acisoga
Systematic Name:	N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
RefMet Name:	Acisoga
Synonyms:	N-(3-Acetamidopropyl)pyrrolidin-2-one [PubChem Synonyms]
Exact Mass:	184.1212 (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:	C9H16N2O2
InChIKey:	OAUYENAPBFTAQT-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyrrolidines [C0000218]
ClassyFire subclass:	N-alkylpyrrolidines [C0003449]
ClassyFire direct parent:	N-alkylpyrrolidines [C0003449]
SMILES:	CC(=O)NCCCN1CCCC1=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	129397
CHEBI ID:	133185
HMDB ID:	HMDB0061384
Chemspider ID:	114601

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