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CHEBI:166857 - 3-acetylpyridine adenine dinucleotide
| Formula | C22H28N6O14P2 |
| Net Charge | 0 |
| Average Mass | 662.442 |
| Monoisotopic Mass | 662.11387 |
| SMILES | CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 |
| InChI | InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1 |
| InChIKey | KPVQNXLUPNWQHM-RBEMOOQDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-acetylpyridine adenine dinucleotide (CHEBI:166857) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 3-acetyl-1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphorylphosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1λ5-pyridin-1-ylium |
| Synonyms | Source |
|---|---|
| 3-acetyl NAD | ChemIDplus |
| (3-acetylpyridine)AD | ChemIDplus |
| 3-acetylpyridineadenine dinucleotide | ChemIDplus |
| 3-acetylpyridine-DPN | ChemIDplus |
| 3-acetylpyridine NAD | ChemIDplus |
| 3-acetylpyridine-NAD | MetaCyc |
| Citations |
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