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Concept information

... > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine nucleotide > adenyl nucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine nucleotide > adenyl nucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide > purine nucleotide > adenyl nucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide > ribonucleotide > purine ribonucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic aromatic compound > heteroarene > imidazopyrimidine > purines > purine nucleotide > purine ribonucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > purine nucleotide > purine ribonucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide > purine nucleotide > purine ribonucleotide > adenyl ribonucleotide > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic aromatic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic heterocyclic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > adenosine phosphate > adenosine 5'-phosphate > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > pyridine nucleotide > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > pyridine nucleotide > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide > pyridine nucleotide > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic aromatic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide > pyridine nucleotide > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
... > organic heterocyclic compound > heteroarene > nucleobase-containing molecular entity > nucleoside phosphate > nucleotide > pyridine nucleotide > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate

Preferred term

1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • +1

formula

  • C22H27N6O16P2S

inchi

  • InChI=1S/C22H26N6O16P2S/c23-17-12-18(25-6-24-17)28(7-26-12)20-16(32)14(30)11(43-20)5-41-46(38,39)44-21(33)8-1-9(22(34)47)3-27(2-8)19-15(31)13(29)10(42-19)4-40-45(35,36)37/h1-3,6-7,10-11,13-16,19-20,29-32H,4-5H2,(H5-,23,24,25,34,35,36,37,38,39,47)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

inchikey

  • BXFOCKPGPXKYAL-HISDBWNOSA-O

mass

  • 725.495

monoisotopicmass

  • 725.06740

smiles

  • O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(=O)OP(OC[C@H]3O[C@@H](N4C=5N=CN=C(N)C5N=C4)[C@@H]([C@@H]3O)O)(=O)O)[C@@H]([C@@H]1O)O)P(O)(=O)O

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137397

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