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CHEBI:40644 - ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE

Default Structure
ChEBI IDCHEBI:40644
ChEBI NameADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H26FN5O15P2
Net Charge0
Average Mass621.361
Monoisotopic Mass621.08847
SMILES[H]OC([H])([H])[C@]([H])(O[H])[C@@]1([H])O[C@@]([H])(O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(n3c([H])nc4c(N([H])[H])nc([H])nc43)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(F)[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C17H26FN5O15P2/c18-7-10(27)11(28)13(5(25)1-24)36-17(7)37-40(32,33)38-39(30,31)34-2-6-9(26)12(29)16(35-6)23-4-22-8-14(19)20-3-21-15(8)23/h3-7,9-13,16-17,24-29H,1-2H2,(H,30,31)(H,32,33)(H2,19,20,21)/t5-,6+,7+,9+,10+,11-,12+,13+,16+,17-/m0/s1
InChIKeySUPCMUQXGKOKIM-FJBXLJLUSA-N
ChEBI Ontology
Outgoing Relation(s)
ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE (CHEBI:40644) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)PDBeChem
ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSEPDBeChem
Manual XrefsDatabases
AFHPDBeChem