CHEBI:47558 - [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE

ChEBI IDCHEBI:47558
ChEBI Name[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
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DownloadsMolfile
FormulaC12H20N4O14P3
Net Charge+1
Average Mass537.228
Monoisotopic Mass537.01834
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])[n+](C([H])([H])[H])c3c(=O)n([H])c(N([H])[H])c([H])c32)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]
InChIInChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1
InChIKeyLPHBJZOLBGBNJF-XYHAGOFUSA-O
ChEBI Ontology
Outgoing Relation(s)
[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE (CHEBI:47558) is a unclassifieds (CHEBI:27189)
Synonym  Source
[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATEPDBeChem
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