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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3−) ChEBI ID CHEBI:138330 ChEBI ASCII Name pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide(3-) Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H11NO10PS Net Charge -3 Average Mass 392.257 Monoisotopic Mass 391.98577 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-3/t7-,8-,9-,10-/m1/s1 InChIKey ALIWKEBIEDUSIU-ZYUZMQFOSA-K 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-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 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 Synonym Source pyridinium-3-carboxylate-5-thiocarboxylate mononucleotide UniProt Citations Types Sources 26138974 PubMed citation SUBMITTER 27114550 PubMed citation SUBMITTER Last Modified 15 November 2017