RefMet Compound Details

MW structure	37192 (View MW Metabolite Database details)
RefMet name	Uracil
Systematic name	1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES	c1c[nH]c(=O)[nH]c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Other pyrimidines
Pubchem CID	1174
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
R01080	Uridine + H2O <=> Uracil + D-Ribose	Uridine ribohydrolase
R02484	Deoxyuridine + Orthophosphate <=> Uracil + 2-Deoxy-D-ribose 1-phosphate	deoxyuridine:orthophosphate 2-deoxy-D-ribosyltransferase
R01876	Uridine + Orthophosphate <=> Uracil + alpha-D-Ribose 1-phosphate	uridine:phosphate alpha-D-ribosyltransferase
R00966	UMP + Diphosphate <=> Uracil + 5-Phospho-alpha-D-ribose 1-diphosphate	UMP:diphosphate phospho-alpha-D-ribosyltransferase
R00978	5,6-Dihydrouracil + NADP+ <=> Uracil + NADPH + H+	5,6-Dihydrouracil:NADP+ oxidoreductase
R00977	5,6-Dihydrouracil + NAD+ <=> Uracil + NADH + H+	5,6-dihydrouracil:NAD+ oxidoreductase

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