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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > 1-(5-o-phosphono-beta-d-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3-)

Preferred term

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

Type

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

Broader concept

charge

  • -3

formula

  • C22H23N6O16P2S

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-3/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

inchikey

  • BXFOCKPGPXKYAL-HISDBWNOSA-K

is_conjugate_base_of

mass

  • 721.463

monoisotopicmass

  • 721.03829

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

synonym RELATED

  • 1-(5-O-phospho-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate
  • PCTMN-adenylate(3-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137358

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