Met005320: Allantoic acid
Metabolite Information
Name
Allantoic acid
IUPAC Name
2,2-bis(carbamoylamino)acetic acid
Molecular Formula
C4H8N4O4
Molecular Weight
176.13
Exact Mass
176.0545548
SMILES
C(C(=O)O)(NC(=O)N)NC(=O)N
InChIKey
NUCLJNSWZCHRKL-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
bittermelon
cabbage
cucumber
cabbage
cucumber
Metabolite Spectrum Accession Label