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CHEBI:137353 - pyridinium-3,5-biscarboxylate mononucleotide(3−)

ChEBI IDCHEBI:137353
ChEBI Namepyridinium-3,5-biscarboxylate mononucleotide(3−)
Stars
ASCII Namepyridinium-3,5-biscarboxylate mononucleotide(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of pyridinium-3,5-biscarboxylic acid mononucleotide; major species at pH 7.3.
Last Modified10 April 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H11NO11P
Net Charge-3
Average Mass376.190
Monoisotopic Mass376.00862
SMILESO=C([O-])c1cc(C(=O)[O-])c[n+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C12H14NO11P/c14-8-7(4-23-25(20,21)22)24-10(9(8)15)13-2-5(11(16)17)1-6(3-13)12(18)19/h1-3,7-10,14-15H,4H2,(H3-,16,17,18,19,20,21,22)/p-3/t7-,8-,9-,10-/m1/s1
InChIKeyQZWRRRIWSQHKCZ-ZYUZMQFOSA-K
ChEBI Ontology
Outgoing Relation(s)
pyridinium-3,5-biscarboxylate mononucleotide(3−) (CHEBI:137353) is a dicarboxylic acid anion (CHEBI:35693)
pyridinium-3,5-biscarboxylate mononucleotide(3−) (CHEBI:137353) is a organophosphate oxoanion (CHEBI:58945)
pyridinium-3,5-biscarboxylate mononucleotide(3−) (CHEBI:137353) is conjugate base of pyridinium-3,5-biscarboxylic acid mononucleotide (CHEBI:137395)
Incoming Relation(s)
pyridinium-3,5-biscarboxylic acid mononucleotide (CHEBI:137395) is conjugate acid of pyridinium-3,5-biscarboxylate mononucleotide(3−) (CHEBI:137353)
IUPAC Name 
1-(5-O-phosphonato-β-D-ribofuranosyl)pyridin-1-ium-3,5-dicarboxylate
Synonyms  Source
P2CMNSUBMITTER
dinicotinate mononucleotide(3−)ChEBI
UniProt Name  Source
pyridinium-3,5-dicarboxylate mononucleotideUniProt
Citations