Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51669
Common Name:	Semicarbazide
Systematic Name:	hydrazinecarboxamide
RefMet Name:	Semicarbazide
Synonyms:	Aminoharnstoff; Carbamidsaeurehydrazid; Semikarbazid; carbamylhydrazine; carbazamide [PubChem Synonyms]
Exact Mass:	75.0433 (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:	CH5N3O
InChIKey:	DUIOPKIIICUYRZ-UHFFFAOYSA-N
ClassyFire superclass:	Organic nitrogen compounds [C0004707]
ClassyFire class:	Organonitrogen compounds [C0000278]
ClassyFire subclass:	Hydrazines and derivatives [C0000112]
ClassyFire direct parent:	Semicarbazides [C0000114]
Massbank MS spectra:	View MS spectra
SMILES:	C(=O)(N)NN
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5196
CHEBI ID:	28306
HMDB ID:	HMDB0258225
MetaCyc ID:	SEMICARBAZIDE
EPA CompTox DB:	DTXCID5023823
Plant Metabolite Hub(Pmhub):	MS000009743

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