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

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ChEBI Name pyridinium-3,5-bisthiocarboxylate mononucleotide(3−)
ChEBI ID CHEBI:137372
ChEBI ASCII Name pyridinium-3,5-bisthiocarboxylate mononucleotide(3-)
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C12H11NO9PS2
Net Charge -3
Average Mass 408.323
Monoisotopic Mass 407.96293
InChI InChI=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
InChIKey KAWCHOIDVYCQHC-ZYUZMQFOSA-K
SMILES O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C([S-])=O)C([S-])=O)[C@@H]([C@@H]1O)O)P([O-])(=O)[O-]
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
P2TMN SUBMITTER
pyridinium-3,5-bisthiocarboxylate mononucleotide UniProt
Manual Xref Database
4EY PDBeChem
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Citations Waiting for Citations Types Sources
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27114550 PubMed citation SUBMITTER
Last Modified
19 June 2017