RefMet Compound Details

RefMet ID	RM0136346
MW structure	41120 (View MW Metabolite Database details)
RefMet name	5-Acetylamino-6-formylamino-3-methyluracil
Systematic name	N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
SMILES	CC(=O)Nc1c(NC=O)[nH]c(=O)n(C)c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	226.070206 (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	C8H10N4O4	View other entries in RefMet with this formula
InChI	InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)
InChIKey	RDZNZFGKEVDNPK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic nitrogen compounds
Main Class	Organonitrogen compounds
Sub Class	N-arylamides
Pubchem CID	108214
ChEBI ID	32643
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 5-Acetylamino-6-formylamino-3-methyluracil

Rxn ID	KEGG Reaction	Enzyme
R07940	1,7-Dimethylxanthine <=> 5-Acetylamino-6-formylamino-3-methyluracil	1,7-Dimethylxanthine <=> 5-Acetylamino-6-formylamino-3-methyluracil

Table of KEGG human pathways containing 5-Acetylamino-6-formylamino-3-methyluracil

Pathway ID	Human Pathway	# of reactions
hsa00232	Caffeine metabolism	1