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CHEBI:137358 - 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−)
| Formula | C22H23N6O16P2S |
| Net Charge | -3 |
| Average Mass | 721.467 |
| Monoisotopic Mass | 721.03829 |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)c2cc(C(=O)[S-])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/C22H26N6O16P2S/c23-17-12-18(25-6-24-17)28(7-26-12)20-16(32)14(30)11(43-20)5-41-46(38,39)44-21(33)8-1-9(22(34)47)3-27(2-8)19-15(31)13(29)10(42-19)4-40-45(35,36)37/h1-3,6-7,10-11,13-16,19-20,29-32H,4-5H2,(H5-,23,24,25,34,35,36,37,38,39,47)/p-3/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 |
| InChIKey | BXFOCKPGPXKYAL-HISDBWNOSA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137358) is a organophosphate oxoanion (CHEBI:58945) |
| 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137358) is conjugate base of 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) |
| Incoming Relation(s) |
| 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate (CHEBI:137397) is conjugate acid of 1-(5-O-phosphono-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate(3−) (CHEBI:137358) |
| Synonym | Source |
|---|---|
| PCTMN-adenylate(3−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 1-(5-O-phospho-β-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate | UniProt |
| Citations |
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