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Concept information

... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleoside 5'-monophosphate > pyridinium-3,5-bisthiocarboxylic acid mononucleotide
organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > pyridine nucleotide > pyridinium-3,5-bisthiocarboxylic acid mononucleotide
organic heterocyclic compound > organic heteromonocyclic compound > pyridines > pyridine nucleotide > pyridinium-3,5-bisthiocarboxylic acid mononucleotide
... > organooxygen compound > ester > phosphoric ester > nucleoside phosphate > nucleotide > pyridine nucleotide > pyridinium-3,5-bisthiocarboxylic acid mononucleotide

Preferred term

pyridinium-3,5-bisthiocarboxylic acid mononucleotide  

Type

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

charge

  • +1

formula

  • C12H15NO9PS2

has_functional_parent

inchi

  • InChI=1S/C12H14NO9PS2/c14-8-7(4-21-23(18,19)20)22-10(9(8)15)13-2-5(11(16)24)1-6(3-13)12(17)25/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,24,25)/p+1/t7-,8-,9-,10-/m1/s1

inchikey

  • KAWCHOIDVYCQHC-ZYUZMQFOSA-O

mass

  • 412.355

monoisotopicmass

  • 411.99204

smiles

  • O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(S)=O)[C@@H]([C@@H]1O)O)P(O)(=O)O

subset

  • 3_STAR

synonym EXACT

  • 1-(5-O-phosphono-beta-D-ribofuranosyl)-3,5-bis(sulfanylcarbonyl)pyridin-1-ium

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137398

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