Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68403
Common Name:	Fasoracetam
Systematic Name:	(5R)-5-(piperidine-1-carbonyl)pyrrolidin-2-one
RefMet Name:	Fasoracetam
Synonyms:	Fasoracetam [INN]; NS 105 (pharmaceutical); N-(5-Oxo-D-prolyl)piperidine; NCGC00182992-01; (R)-1-((5-Oxo-2-pyrrolidinyl)carbonyl)piperidine [PubChem Synonyms]
Exact Mass:	196.1212 (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:	C10H16N2O2
InChIKey:	GOWRRBABHQUJMX-MRVPVSSYSA-N
ClassyFire superclass:	Organic acids and derivatives
ClassyFire class:	Carboxylic acids and derivatives
ClassyFire subclass:	Amino acids, peptides, and analogues
ClassyFire direct parent:	Alpha amino acid amides
SMILES:	C1CCN(CC1)C(=O)[C@H]1CCC(=O)N1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	198695
CHEBI ID:	31592
HMDB ID:	HMDB0252174
KEGG ID:	C13311
EPA CompTox DB:	DTXCID80210342
Plant Metabolite Hub(Pmhub):	MS000023224

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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.