RefMet Compound Details

MW structure50218 (View MW Metabolite Database details)
RefMet nameAllantoin
Systematic name(2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)N[C@@H]1NC(=O)NC1=O
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
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-/m0/s1
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)
Human quantitationView measurements in targeted assays on human samples

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
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