RefMet Compound Details

RefMet IDRM0156344
MW structure52596 (View MW Metabolite Database details)
RefMet name4-Imidazolone-5-propionic acid   Species distribution   Sample source distribution
Systematic name3-(4-oxo-4,5-dihydro-1H-imidazol-5-id-5-yl)propanoate
SMILESC(CC(=O)O)C1C(=O)NC=N1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass156.053493 (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
FormulaC6H8N2O3View other entries in RefMet with this formula
InChI
InChIKeyHEXMLHKQVUFYME-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID25243959
ChEBI ID27384
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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