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CHEBI:139057 - pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide

ChEBI IDCHEBI:139057
ChEBI Namepyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide
Stars
DefinitionA pyridine nucleotide having 3-carboxy-5-(sulfanylcarbonyl)pyridine as the nucleobase.
Last Modified15 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC12H15NO10PS
Net Charge+1
Average Mass396.290
Monoisotopic Mass396.01488
SMILESO=C(O)c1cc(C(=O)S)c[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C12H14NO10PS/c14-8-7(4-22-24(19,20)21)23-10(9(8)15)13-2-5(11(16)17)1-6(3-13)12(18)25/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,21,25)/p+1/t7-,8-,9-,10-/m1/s1
InChIKeyALIWKEBIEDUSIU-ZYUZMQFOSA-O
ChEBI Ontology
Outgoing Relation(s)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) has functional parent nicotinic acid D-ribonucleotide (CHEBI:15763)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) is a monothiocarboxylic acid (CHEBI:35737)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) is a nucleoside 5'-monophosphate (CHEBI:17188)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) is a pyridine nucleotide (CHEBI:36980)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) is conjugate acid of pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330)
Incoming Relation(s)
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330) is conjugate base of pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057)
IUPAC Name 
3-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium
Synonym  Source
PCTMNChEBI
Registry NumbersSources
Reaxys:29712484Reaxys
Citations