RefMet Compound Details

MW structure50218 (View MW Metabolite Database details)
RefMet nameAllantoin
Systematic name(2,5-dioxoimidazolidin-4-yl)urea
SMILES[C@H]1(C(=O)NC(=O)N1)NC(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
InChIKeyPOJWUDADGALRAB-SFOWXEAESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassUreas
Sub ClassUreides
Pubchem CID439714
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Allantoin

Rxn IDKEGG ReactionEnzyme
R06604 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate <=> (S)-Allantoin + CO25-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate carboxy-lyase [(S)-allantoin-forming]

Table of KEGG human pathways containing Allantoin

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 1