EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42508 - [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate

ChEBI IDCHEBI:42508
ChEBI Name[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate
Stars
Last Modified13 February 2008
DownloadsMolfile
FormulaC6H8F3N3O7P2
Net Charge0
Average Mass353.086
Monoisotopic Mass352.97896
SMILES[H]OP(=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])c1c([H])nc(C(F)(F)F)nc1N([H])[H]
InChIInChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)
InChIKeyUKNJCTHTCAKKNG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate (CHEBI:42508) is a alkyl diphosphate (CHEBI:46731)
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate (CHEBI:42508) is a aminopyrimidine (CHEBI:38338)
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate (CHEBI:42508) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATEPDBeChem
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphatePDBeChem
Manual XrefsDatabases
FQPPDBeChem