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CHEBI:137372 - pyridinium-3,5-bisthiocarboxylate mononucleotide(3−)

ChEBI IDCHEBI:137372
ChEBI Namepyridinium-3,5-bisthiocarboxylate mononucleotide(3−)
Stars
ASCII Namepyridinium-3,5-bisthiocarboxylate mononucleotide(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of pyridinium-3,5-bisthiocarboxylic acid mononucleotide; major species at pH 7.3.
Last Modified19 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H11NO9PS2
Net Charge-3
Average Mass408.326
Monoisotopic Mass407.96293
SMILESO=C([S-])c1cc(C(=O)[S-])c[n+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1
InChIInChI=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-3/t7-,8-,9-,10-/m1/s1
InChIKeyKAWCHOIDVYCQHC-ZYUZMQFOSA-K
ChEBI Ontology
Outgoing Relation(s)
pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372) is a organic sulfur anion (CHEBI:84291)
pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372) is a organophosphate oxoanion (CHEBI:58945)
pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372) is conjugate base of pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398)
Incoming Relation(s)
pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) is conjugate acid of pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372)
IUPAC Name 
1-(5-O-phosphonato-β-D-ribofuranosyl)pyridin-1-ium-3,5-dicarbothioate
Synonym  Source
P2TMNSUBMITTER
UniProt Name  Source
pyridinium-3,5-bisthiocarboxylate mononucleotideUniProt
Manual XrefsDatabases
4EYPDBeChem
Citations