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CHEBI:138330 - pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−)

ChEBI IDCHEBI:138330
ChEBI Namepyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−)
Stars
ASCII Namepyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the carboxy, thiocarboxy and phosphate OH groups of pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide; major species at pH 7.3.
Last Modified15 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H11NO10PS
Net Charge-3
Average Mass392.258
Monoisotopic Mass391.98577
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-3/t7-,8-,9-,10-/m1/s1
InChIKeyALIWKEBIEDUSIU-ZYUZMQFOSA-K
ChEBI Ontology
Outgoing Relation(s)
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330) is a monocarboxylic acid anion (CHEBI:35757)
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330) is a organic sulfur anion (CHEBI:84291)
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330) is a organophosphate oxoanion (CHEBI:58945)
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330) is conjugate base of pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057)
Incoming Relation(s)
pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide (CHEBI:139057) is conjugate acid of pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) (CHEBI:138330)
IUPAC Name 
5-carbothioato-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridin-1-ium-3-carboxylate
UniProt Name  Source
pyridinium-3-carboxylate-5-thiocarboxylate mononucleotideUniProt
Citations