Met002467: Allantoin
Metabolite Information
Name
Allantoin
IUPAC Name
(2,5-dioxoimidazolidin-4-yl)urea
Molecular Formula
C4H6N4O3
Molecular Weight
158.12
Exact Mass
158.0439901
SMILES
C1(C(=O)NC(=O)N1)NC(=O)N
InChIKey
POJWUDADGALRAB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Azoles
Subclass:
Imidazoles
Crops containing this metabolite
cowpea
eggplant
potato
eggplant
potato
Metabolite Spectrum Accession Label