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CHEBI:42198 - 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-β-L-threo-pentofuranosyl}thymine

ChEBI IDCHEBI:42198
ChEBI Name1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-β-L-threo-pentofuranosyl}thymine
Stars
ASCII Name1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}thymine
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H19N2O8P
Net Charge0
Average Mass410.319
Monoisotopic Mass410.08790
SMILES[H]OP(=O)(O[H])[C@@]1(c2c([H])c([H])c([H])c([H])c2[H])OC([H])([H])[C@]2([H])O[C@]([H])(n3c([H])c(C([H])([H])[H])c(=O)n([H])c3=O)C([H])([H])[C@]2([H])O1
InChIInChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1
InChIKeyWTZFKHNHHRPQOU-WSMBLCCSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-β-L-threo-pentofuranosyl}thymine (CHEBI:42198) has functional parent phosphonic acid (CHEBI:44976)
1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-β-L-threo-pentofuranosyl}thymine (CHEBI:42198) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
Synonym  Source
1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dionePDBeChem
Manual XrefsDatabases
DPBPDBeChem