RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135867
RefMet name	Ureidopropionic acid
Systematic name	3-(carbamoylamino)propanoic acid
Synonyms	PubChem Synonyms
Exact mass	132.053493 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C4H8N2O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37033 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKey	JSJWCHRYRHKBBW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CNC(=O)N)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Organonitrogen compounds
Sub Class	Ureas
Distribution of Ureidopropionic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Ureidopropionic acid
External Links
Pubchem CID	111
ChEBI ID	18261
KEGG ID	C02642
HMDB ID	HMDB0000026
Chemspider ID	109
MetaCyc ID	3-UREIDO-PROPIONATE
Spectral data for Ureidopropionic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ureidopropionic acid

Rxn ID	KEGG Reaction	Enzyme
R00905	3-Ureidopropionate + H2O <=> beta-Alanine + CO2 + Ammonia	3-ureidopropanoate amidohydrolase
R02269	5,6-Dihydrouracil + H2O <=> 3-Ureidopropionate	5,6-Dihydrouracil amidohydrolase

Table of KEGG human pathways containing Ureidopropionic acid

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2
hsa00410	beta-Alanine metabolism	2
hsa00770	Pantothenate and CoA biosynthesis	2