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CHEBI:40879 - PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER

Default Structure
ChEBI IDCHEBI:40879
ChEBI NamePHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H16F2N5O12P3
Net Charge0
Average Mass541.190
Monoisotopic Mass540.99764
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H]
InChIInChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyODWAWOIUPXBZKQ-KQYNXXCUSA-N
ChEBI Ontology
Outgoing Relation(s)
PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER (CHEBI:40879) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosinePDBeChem
PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTERPDBeChem
Manual XrefsDatabases
ATFPDBeChem