Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37883
Common Name:	Guanidine
Systematic Name:	guanidine
Synonyms:	[PubChem Synonyms]
Exact Mass:	59.0483 (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:	CH5N3
InChIKey:	ZRALSGWEFCBTJO-UHFFFAOYSA-N
ClassyFire superclass:	Organic nitrogen compounds [C0004707]
ClassyFire class:	Organonitrogen compounds [C0000278]
ClassyFire subclass:	Guanidines [C0000375]
ClassyFire direct parent:	Guanidines [C0000375]
MoNA MS spectra:	View MS spectra
SMILES:	C(=N)(N)N
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3520
CHEBI ID:	42820
HMDB ID:	HMDB0001842
KEGG ID:	C17349
Chemspider ID:	3400
METLIN ID:	6342
MetaCyc ID:	CPD-13517
EPA CompTox DB:	DTXCID603117
Plant Metabolite Hub(Pmhub):	MS000025724

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