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CHEBI:137355 - 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3−)
| Formula | C22H23N6O17P2 |
| Net Charge | -3 |
| Average Mass | 705.399 |
| Monoisotopic Mass | 705.06114 |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)c2cc(C(=O)[O-])c[n+]([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C22H26N6O17P2/c23-17-12-18(25-6-24-17)28(7-26-12)20-16(32)14(30)11(44-20)5-42-47(39,40)45-22(35)9-1-8(21(33)34)2-27(3-9)19-15(31)13(29)10(43-19)4-41-46(36,37)38/h1-3,6-7,10-11,13-16,19-20,29-32H,4-5H2,(H5-,23,24,25,33,34,36,37,38,39,40)/p-3/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 |
| InChIKey | XFGNNUKNRVMPRK-HISDBWNOSA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137355) is a monocarboxylic acid anion (CHEBI:35757) |
| 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137355) is a organophosphate oxoanion (CHEBI:58945) |
| 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137355) is conjugate base of 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate (CHEBI:137396) |
| Incoming Relation(s) |
| 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate (CHEBI:137396) is conjugate acid of 5-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137355) |
| Synonyms | Source |
|---|---|
| P2CMN-adenylate(3−) | ChEBI |
| pyridinium-3,5-biscarboxylate mononucleotide adenylate(3−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 5-carboxy-1-(5-O-phospho-β-D-ribofuranosyl)pyridinium-3-carbonyl adenylate | UniProt |
| Citations |
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