RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0029803
RefMet name(R)-Allantoin
Systematic nameN-[(4R)-2,5-dioxoimidazolidin-4-yl]urea
SynonymsPubChem Synonyms
Exact mass158.043991 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H6N4O3View other entries in RefMet with this formula
Molecular descriptors
Molfile50217 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1
InChIKeyPOJWUDADGALRAB-PVQJCKRUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILES[C@@H]1(C(=O)NC(=O)N1)NC(=O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassAzoles
Sub ClassImidazolidines
Distribution of (R)-Allantoin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting (R)-Allantoin
External Links
Pubchem CID439713
ChEBI ID15677
KEGG IDC02348
MetaCyc IDR--ALLANTOIN
Spectral data for (R)-Allantoin standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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