FComEx: NAD (PC000770)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:35 UTC

Update date

2017-01-19 02:36:35 UTC

FoodComEx ID

PC000770

FoodDB Record

FDB022309

Chemical Information

Name

NAD

Description

NAD (or Nicotinamide adenine dinucleotide) is used extensively in glycolysis and the citric acid cycle of cellular respiration. The reducing potential stored in NADH can be converted to ATP through the electron transport chain or used for anabolic metabolism. ATP "energy" is necessary for an organism to live. Green plants obtain ATP through photosynthesis, while other organisms obtain it by cellular respiration. (wikipedia). Nicotinamide adenine dinucleotide is a A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed) [HMDB]

CAS Number

53-84-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyoryl) hydrogen ate	HMDB
[(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) hydrogen phosphate	hmdb
[adenylate-32-P]-NAD	hmdb
3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate inner salt	HMDB
3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt	hmdb
3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate inner salt	HMDB
3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt	hmdb
3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate	HMDB
3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate	hmdb
3-Carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate	HMDB
3-Carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate	hmdb
Adenine-nicotinamide dinucleotide	hmdb
beta-Diopyridine nucleotide	HMDB
beta-Diphosphopyridine nucleotide	hmdb
beta-NAD	hmdb
beta-Nicotinamide adenine dinucleotide	hmdb
beta-Nicotinamide adenine dinucleotide trihydrate	hmdb
CO-I	hmdb
Codehydrase I	hmdb
Codehydrogenase I	hmdb
Coenzyme I	hmdb
Cozymase	hmdb
Cozymase I	hmdb
Diopyridine nucleotide	ChEBI
Diopyridine nucleotide oxidized	HMDB
Diphosphopyridine nucleotide	hmdb
diphosphopyridine nucleotide oxidized	hmdb
DPN	ChEBI
Endopride	hmdb
NAD trihydrate	hmdb
NAD-oxidized	hmdb
NAD+	ChEBI
Nadide	ChEBI
Nicotinamide adenine dinucleotide	hmdb
nicotinamide adenine dinucleotide oxidized	hmdb
Nicotinamide dinucleotide	hmdb
Nicotineamide adenine dinucleotide	hmdb
Oxidized diopyridine nucleotide	HMDB
Oxidized diphosphopyridine nucleotide	hmdb
Pyridine nucleotide diate	HMDB
Pyridine nucleotide diphosphate	hmdb

Chemical Formula

C21H28N7O14P2

IUPAC name

1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium

InChI Identifier

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)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChI Key

BAWFJGJZGIEFAR-NNYOXOHSSA-O

Isomeric 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

Average Molecular Weight

664.433

Monoisotopic Molecular Weight

664.116946663

Chemical Taxonomy

Description

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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

(5'->5')-dinucleotides

Sub Class

Not Available

Direct Parent

(5'->5')-dinucleotides

Alternative Parents