RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135879
RefMet name	Dihydrouracil
Systematic name	1,3-diazinane-2,4-dione
Synonyms	PubChem Synonyms
Exact mass	114.042928 (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	C4H6N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37061 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKey	OIVLITBTBDPEFK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1CNC(=O)NC1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Other pyrimidines
Distribution of Dihydrouracil in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Dihydrouracil
External Links
Pubchem CID	649
ChEBI ID	15901
KEGG ID	C00429
HMDB ID	HMDB0000076
Chemspider ID	629
MetaCyc ID	DI-H-URACIL
Spectral data for Dihydrouracil 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 Dihydrouracil

Rxn ID	KEGG Reaction	Enzyme
R00977	5,6-Dihydrouracil + NAD+ <=> Uracil + NADH + H+	5,6-dihydrouracil:NAD+ oxidoreductase
R00978	5,6-Dihydrouracil + NADP+ <=> Uracil + NADPH + H+	5,6-Dihydrouracil:NADP+ oxidoreductase
R02269	5,6-Dihydrouracil + H2O <=> 3-Ureidopropionate	5,6-Dihydrouracil amidohydrolase

Table of KEGG human pathways containing Dihydrouracil

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2
hsa00410	beta-Alanine metabolism	2
hsa00770	Pantothenate and CoA biosynthesis	2
hsa01100	Metabolic pathways	1