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CHEBI:137398 - pyridinium-3,5-bisthiocarboxylic acid mononucleotide
| Formula | C12H15NO9PS2 |
| Net Charge | +1 |
| Average Mass | 412.358 |
| Monoisotopic Mass | 411.99204 |
| SMILES | O=C(S)c1cc(C(=O)S)c[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1 |
| 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+1/t7-,8-,9-,10-/m1/s1 |
| InChIKey | KAWCHOIDVYCQHC-ZYUZMQFOSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) has functional parent nicotinic acid D-ribonucleotide (CHEBI:15763) |
| pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) is a monothiocarboxylic acid (CHEBI:35737) |
| pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) is a nucleoside 5'-monophosphate (CHEBI:17188) |
| pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) is a pyridine nucleotide (CHEBI:36980) |
| pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) is conjugate acid of pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372) |
| Incoming Relation(s) |
| pyridinium-3,5-bisthiocarboxylate mononucleotide(3−) (CHEBI:137372) is conjugate base of pyridinium-3,5-bisthiocarboxylic acid mononucleotide (CHEBI:137398) |
| IUPAC Name |
|---|
| 1-(5-O-phosphono-β-D-ribofuranosyl)-3,5-bis(sulfanylcarbonyl)pyridin-1-ium |
| Synonyms | Source |
|---|---|
| P2TMN | ChEBI |
| pyridinium-3,5-bisthiocarboxylate mononucleotide | ChEBI |
| Dithiodinicotinic acid mononucleotide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 4EY | PDBeChem |
| Citations |
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