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CHEBI:41083 - 1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER

Default Structure
ChEBI IDCHEBI:41083
ChEBI Name1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H22F4N5O12P3
Net Charge0
Average Mass633.278
Monoisotopic Mass633.04139
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)C([H])([H])C([H])([H])C([H])([H])C(F)(F)P(=O)(O[H])O[H]
InChIInChI=1S/C15H22F4N5O12P3/c16-14(17,37(27,28)29)2-1-3-15(18,19)38(30,31)36-39(32,33)34-4-7-9(25)10(26)13(35-7)24-6-23-8-11(20)21-5-22-12(8)24/h5-7,9-10,13,25-26H,1-4H2,(H,30,31)(H,32,33)(H2,20,21,22)(H2,27,28,29)/t7-,9-,10-,13-/m1/s1
InChIKeyVWQBAZQMKBHYJA-QYVSTXNMSA-N
ChEBI Ontology
Outgoing Relation(s)
1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER (CHEBI:41083) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTERPDBeChem
5'-O-[(R)-hydroxy{[(R)-hydroxy(1,1,5,5-tetrafluoro-5-phosphonopentyl)phosphoryl]oxy}phosphoryl]adenosinePDBeChem
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