Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	46302
Common Name:	Gyromitrin
Systematic Name:	N'-[(1Z)-ethylidene]-N-methylformohydrazide
RefMet Name:	Gyromitrin
Synonyms:	[PubChem Synonyms]
Exact Mass:	100.0637 (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:	C4H8N2O
InChIKey:	IMAGWKUTFZRWSB-HYXAFXHYSA-N
ClassyFire superclass:	Organic nitrogen compounds [C0004707]
ClassyFire class:	Organonitrogen compounds [C0000278]
ClassyFire subclass:	Hydrazines and derivatives [C0000112]
ClassyFire direct parent:	N-alkylated hydrazones [C0003295]
MoNA MS spectra:	View MS spectra
SMILES:	C/C=N\N(C)C=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5365327
CHEBI ID:	5583
HMDB ID:	HMDB0033952
KEGG ID:	C08305
Chemspider ID:	19957776
Plant Metabolite Hub(Pmhub):	MS000012843

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