RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135934
RefMet name	Uracil
Systematic name	1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms	PubChem Synonyms
Exact mass	112.027278 (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	C4H4N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37192 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey	ISAKRJDGNUQOIC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1c[nH]c(=O)[nH]c1=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 Uracil 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 Uracil
External Links
Pubchem CID	1174
ChEBI ID	17568
KEGG ID	C00106
HMDB ID	HMDB0000300
Chemspider ID	1141
MetaCyc ID	URACIL
EPA CompTox	DTXCID20209114
Spectral data for Uracil 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 Uracil

Rxn ID	KEGG Reaction	Enzyme
R00966	UMP + Diphosphate <=> Uracil + 5-Phospho-alpha-D-ribose 1-diphosphate	UMP:diphosphate phospho-alpha-D-ribosyltransferase
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
R01080	Uridine + H2O <=> Uracil + D-Ribose	Uridine ribohydrolase
R01876	Uridine + Orthophosphate <=> Uracil + alpha-D-Ribose 1-phosphate	uridine:phosphate alpha-D-ribosyltransferase
R02484	Deoxyuridine + Orthophosphate <=> Uracil + 2-Deoxy-D-ribose 1-phosphate	deoxyuridine:orthophosphate 2-deoxy-D-ribosyltransferase

Table of KEGG human pathways containing Uracil

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	4
hsa01100	Metabolic pathways	2
hsa00410	beta-Alanine metabolism	1
hsa00770	Pantothenate and CoA biosynthesis	1