Record Information Version
1.0 Update Date
1/22/2018 12:54:54 PM
Metabolite ID PAMDB110460
Identification Name:
(S )-(+)-allantoin Description: Not Available
Structure
Synonyms:
Chemical Formula:
C4 H6 N4 O3
Average Molecular Weight:
158.0439900797 Monoisotopic Molecular
Weight:
158.0439900797 InChI Key:
POJWUDADGALRAB-SFOWXEAESA-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)/t1-/m0/s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C1(NC(N)=O)(NC(=O)NC(=O)1)
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
Kingdom
Organic compounds Super Class Organoheterocyclic compounds
Class
Azoles Sub Class Imidazoles
Direct Parent
Imidazoles Alternative Parents
Substituents
Imidazole Isourea Azacycle Organic 1,3-dipolar compound Propargyl-type 1,3-dipolar organic compound Carboximidamide Carboximidic acid derivative Organic nitrogen compound Organic oxygen compound Organopnictogen compound Hydrocarbon derivative Organooxygen compound Organonitrogen compound Imine Aliphatic heteromonocyclic compound Molecular Framework
Aliphatic heteromonocyclic compounds External Descriptors
ureas, imidazolidine-2,4-dione (CHEBI:15676) a small molecule (S-ALLANTOIN)
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
allantoin degradation to ureidoglycolate I (urea producing)PWY-5697 superpathway of allantoin degradation in plantsURDEGR-PWY allantoin degradation to glyoxylate IPWY-5694 ureide biosynthesisURSIN-PWY allantoin degradation to ureidoglycolate II (ammonia producing)PWY-5698 allantoin degradation to glyoxylate IIIPWY-5705 urate degradation to allantoin IPWY-5691
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
