RefMet Compound Details

MW structure37416 (View MW Metabolite Database details)
RefMet namePseudouridine
Systematic name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILESOC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C1=CNC(=O)NC1=O
Sum CompositionPseudouridine View other entries in RefMet with this sum composition
Exact mass244.069538 (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
FormulaC9H12N2O6View other entries in RefMet with this formula
InChIInChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyPTJWIQPHWPFNBW-GBNDHIKLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidine ribonucleosides
Pubchem CID15047
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo