1.0 2020-04-17 18:45:04 UTC 2020-11-18 16:38:53 UTC CDB004868 NAD NAD+, also known as codehydrogenase I or coenzyme I, belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. NAD+ is a very strong basic compound (based on its pKa). In humans, NAD+ is involved in citric acid cycle. Outside of the human body, NAD+ has been detected, but not quantified in, several different foods, such as garden tomato, devilfish, saffrons, cloud ear fungus, and bog bilberries. This could make NAD+ a potential biomarker for the consumption of these foods. NAD is expected to be in Cannabis as all living plants are known to produce and metabolize it. Codehydrogenase I Coenzyme I Cozymase I Diphosphopyridine nucleotide DPN Nadide NICOTINAMIDE-adenine-dinucleotide Adenine dinucleotide, dihydronicotinamide NAD Nicotinamide-adenine dinucleotide Nucleotide, diphosphopyridine Dihydronicotinamide adenine dinucleotide NADH Nicotinamide adenine dinucleotide Dinucleotide, nicotinamide-adenine Dinucleotide, dihydronicotinamide adenine Adenine-nicotinamide dinucleotide NAD+ Oxidized diphosphopyridine nucleotide beta-Diphosphopyridine nucleotide beta-NAD beta-NAD+ beta-Nicotinamide adenine dinucleotide beta-Nicotinamide adenine dinucleotide hydrate β-Diphosphopyridine nucleotide β-NAD β-NAD+ β-Nicotinamide adenine dinucleotide β-Nicotinamide adenine dinucleotide hydrate C21H27N7O14P2 663.43 663.1091 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium 53-84-9 NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 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 BAWFJGJZGIEFAR-NNYOXOHSSA-N belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. (5'->5')-dinucleotides Organic compounds Nucleosides, nucleotides, and analogues (5'->5')-dinucleotides Aromatic heteropolycyclic compounds 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Carboximidic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Nicotinamide nucleotides Nicotinamides Organic oxides Organic pyrophosphates Organic zwitterions Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Purine nucleotide sugars Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Pyridinium derivatives Secondary alcohols Tetrahydrofurans (5'->5')-dinucleotide 6-aminopurine Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carboximidic acid Carboximidic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Nicotinamide Nicotinamide-nucleotide Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary amine Purine Purine nucleotide sugar Purine ribonucleoside diphosphate Purine ribonucleoside monophosphate Pyridine Pyridine nucleotide Pyridinium Pyrimidine Secondary alcohol Tetrahydrofuran NAD water_solubility 752.5 mg/mL melting_point 140.0 - 142.0 °C logp -1.20 ALOGPS logs -2.52 ALOGPS logp -10 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic 6.38 ChemAxon iupac 1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium ChemAxon average_mass 663.43 ChemAxon mono_mass 663.1091 ChemAxon smiles NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O ChemAxon formula C21H27N7O14P2 ChemAxon 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 ChemAxon inchikey BAWFJGJZGIEFAR-NNYOXOHSSA-N ChemAxon polar_surface_area 322.08 ChemAxon refractivity 151.81 ChemAxon polarizability 58.5 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon C00003 DB14128 FDB022309 5682 5892 44215 NAD C00007256 Nicotinamide_adenine_dinucleotide