Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67780
Common Name:	Prinomide
Systematic Name:	2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenyl-propanamide
RefMet Name:	Prinomide
Synonyms:	Prinomide [INN]; 2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-N-phenylpropanamide; AC1Q3YWG; AC1L1T2N [PubChem Synonyms]
Exact Mass:	267.1008 (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:	C15H13N3O2
InChIKey:	KBQUAIAGRLAZGP-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Anilides [C0000285]
ClassyFire direct parent:	Anilides [C0000285]
SMILES:	Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccccc1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	60352
HMDB ID:	HMDB0256775
KEGG ID:	C10958
Plant Metabolite Hub(Pmhub):	MS000022032

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