RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0117395
RefMet name	Urea
Systematic name	urea
Synonyms	PubChem Synonyms
Exact mass	60.032363 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	CH4N2O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37188 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey	XSQUKJJJFZCRTK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(=O)(N)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Organonitrogen compounds
Sub Class	Ureas
Distribution of Urea in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Urea
External Links
Pubchem CID	1176
ChEBI ID	16199
KEGG ID	C00086
HMDB ID	HMDB0000294
Chemspider ID	1143
MetaCyc ID	UREA
EPA CompTox	DTXCID901426
Spectral data for Urea standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG human pathways containing Urea

Pathway ID	Human Pathway	# of reactions
hsa00220	Arginine biosynthesis	1
hsa00230	Purine metabolism	1
hsa00330	Arginine and proline metabolism	1
hsa01230	Biosynthesis of amino acids	1