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CHEBI:183817 - alpha-Nicotinamide Adenine Dinucleotide
| Formula | C21H27N7O14P2 |
| Net Charge | 0 |
| Average Mass | 663.430 |
| Monoisotopic Mass | 663.10912 |
| SMILES | NC(=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/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-OPDHFMQKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3487) | Strain: C57BL [EFO:0005181] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alpha-Nicotinamide Adenine Dinucleotide (CHEBI:183817) is a dinucleotide (CHEBI:47885) |
| IUPAC Name |
|---|
| [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |