RefMet Compound Details

Created with Raphaƫl 2.1.0NNNNOOOHOH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0156413
RefMet nameDyphylline
Systematic name7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SynonymsPubChem Synonyms
Exact mass254.101506 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H14N4O4View other entries in RefMet with this formula
Molecular descriptors
Molfile60821 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyKSCFJBIXMNOVSH-ZCFIWIBFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCn1c2c(c(=O)n(C)c1=O)n(C[C@H](CO)O)cn2
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Chemical/Biochemical Classification
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Distribution of Dyphylline in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Dyphylline
External Links
Pubchem CID688353
ChEBI ID59846
KEGG IDC07819
HMDB IDHMDB0014789
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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