RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0109153
RefMet nameFluorouracil
Systematic name5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
SynonymsPubChem Synonyms
Exact mass130.017856 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H3FN2O2View other entries in RefMet with this formula
Molecular descriptors
Molfile42881 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyGHASVSINZRGABV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1c(c(=O)[nH]c(=O)[nH]1)F
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassHalopyrimidines
Distribution of Fluorouracil in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Fluorouracil
External Links
Pubchem CID3385
ChEBI ID46345
KEGG IDC07649
HMDB IDHMDB0014684
Chemspider ID3268
MetaCyc IDCPD0-1327
Spectral data for Fluorouracil standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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