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

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ChEBI Name pyridinium-3-carboxy-5-thiocarboxylic acid mononucleotide
ChEBI ID CHEBI:139057
Definition A pyridine nucleotide having 3-carboxy-5-(sulfanylcarbonyl)pyridine as the nucleobase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H15NO10PS
Net Charge +1
Average Mass 396.289
Monoisotopic Mass 396.01488
InChI InChI=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
InChIKey ALIWKEBIEDUSIU-ZYUZMQFOSA-O
SMILES O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(O)=O)C(=O)S)[C@@H]([C@@H]1O)O)P(O)(=O)O
ChEBI Ontology
Outgoing 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 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
PCTMN ChEBI
Registry Number Type Source
29712484 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26138974 PubMed citation Europe PMC
27114550 PubMed citation Europe PMC
28784764 PubMed citation Europe PMC
Last Modified
15 November 2017