1.0
2011-09-21 00:11:54 UTC
2015-10-09 22:32:35 UTC
FDB022309
NAD
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]
[(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
[(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
[adenylate-32-P]-NAD
3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate inner salt
3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt
3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate inner salt
3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt
3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate
3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
3-Carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyroate
3-Carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
Adenine-nicotinamide dinucleotide
beta-Diopyridine nucleotide
beta-Diphosphopyridine nucleotide
beta-NAD
beta-Nicotinamide adenine dinucleotide
beta-Nicotinamide adenine dinucleotide trihydrate
CO-I
Codehydrase I
Codehydrogenase I
Coenzyme I
Cozymase
Cozymase I
Diopyridine nucleotide
Diopyridine nucleotide oxidized
Diphosphopyridine nucleotide
diphosphopyridine nucleotide oxidized
DPN
Endopride
NAD trihydrate
NAD-oxidized
NAD+
Nadide
Nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide oxidized
Nicotinamide dinucleotide
Nicotineamide adenine dinucleotide
Oxidized diopyridine nucleotide
Oxidized diphosphopyridine nucleotide
Pyridine nucleotide diate
Pyridine nucleotide diphosphate
C21H28N7O14P2
664.433
664.116946663
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
1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-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
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)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
BAWFJGJZGIEFAR-NNYOXOHSSA-O
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 cations
Organic oxides
Organic pyrophosphates
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 cation
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organic phosphoric acid derivative
Organic pyrophosphate
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
NAD(P)(+)
Solid
logp
-1.18
logs
-2.59
solubility
1.81e+00 g/l
logp
-9.9
pka_strongest_acidic
1.85
pka_strongest_basic
4.01
iupac
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
average_mass
664.433
mono_mass
664.116946663
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
formula
C21H28N7O14P2
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)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
inchikey
BAWFJGJZGIEFAR-NNYOXOHSSA-O
polar_surface_area
318.26
refractivity
142
polarizability
55.83
rotatable_bond_count
11
acceptor_count
15
donor_count
8
physiological_charge
-1
formal_charge
1
Ammonia Recycling
SMP00009
map00910
Carnitine Synthesis
SMP00465
Citric Acid Cycle
SMP00057
map00020
Ethanol Degradation
SMP00449
Folate Metabolism
SMP00053
map00670
Gluconeogenesis
SMP00128
map00010
Glucose-Alanine Cycle
SMP00127
Glutamate Metabolism
SMP00072
map00250
Glycerol Phosphate Shuttle
SMP00124
Glycerolipid Metabolism
SMP00039
map00561
Glycine and Serine Metabolism
SMP00004
map00260
Glycolysis
SMP00040
map00010
Histidine Metabolism
SMP00044
map00340
Ketone Body Metabolism
SMP00071
map00072
Malate-Aspartate Shuttle
SMP00129
Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids
SMP00482
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids
SMP00481
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids
SMP00480
Mitochondrial Electron Transport Chain
SMP00355
map00190
Nicotinate and Nicotinamide Metabolism
SMP00048
map00760
Plasmalogen Synthesis
SMP00479
Threonine and 2-Oxobutanoate Degradation
SMP00452
Transfer of Acetyl Groups into Mitochondria
SMP00466
Specdb::CMs
26360
Specdb::NmrTwoD
1043
Specdb::NmrTwoD
1535
Specdb::MsMs
4835
Specdb::MsMs
4836
Specdb::MsMs
4837
Specdb::MsMs
4838
Specdb::MsMs
4839
Specdb::MsMs
4840
Specdb::MsMs
4841
Specdb::MsMs
4842
Specdb::MsMs
1280
Specdb::MsMs
1281
Specdb::MsMs
1282
Specdb::MsMs
4827
Specdb::MsMs
4828
Specdb::MsMs
4829
Specdb::MsMs
4830
Specdb::MsMs
4831
Specdb::MsMs
4832
Specdb::MsMs
4833
Specdb::MsMs
4834
Specdb::MsMs
180435
Specdb::MsMs
180436
Specdb::MsMs
180437
Specdb::MsMs
178119
Specdb::MsMs
178120
Specdb::MsMs
178121
Specdb::NmrOneD
1594
Specdb::NmrOneD
4768
Specdb::NmrOneD
4769
Specdb::NmrOneD
4770
Specdb::NmrOneD
4771
Specdb::NmrOneD
340588
Specdb::NmrOneD
340589
Specdb::NmrOneD
340590
Specdb::NmrOneD
340591
Specdb::NmrOneD
340592
Specdb::NmrOneD
340593
Specdb::NmrOneD
340594
Specdb::NmrOneD
340595
Specdb::NmrOneD
340596
Specdb::NmrOneD
340597
Specdb::NmrOneD
340598
Specdb::NmrOneD
340599
Specdb::NmrOneD
340600
Specdb::NmrOneD
340601
Specdb::NmrOneD
340602
Specdb::NmrOneD
340603
Specdb::NmrOneD
340604
Specdb::NmrOneD
340605
Specdb::NmrOneD
340606
Specdb::NmrOneD
340607
HMDB00902
15846
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#<Reference:0x0000555675d31708>
#<Reference:0x0000555675d31550>
14 kDa phosphohistidine phosphatase
Q9NRX4
PHPT1
2-oxoglutarate dehydrogenase-like, mitochondrial
Q9ULD0
OGDHL
2-oxoglutarate dehydrogenase, mitochondrial
Q02218
OGDH
7-dehydrocholesterol reductase
Q9UBM7
DHCR7
Acyl carrier protein, mitochondrial
O14561
NDUFAB1
Acyl-CoA synthetase family member 4
Q4L235
AASDH
Alcohol dehydrogenase [NADP(+)]
P14550
AKR1A1
Aminoadipate-semialdehyde synthase
A4D0W4
AASS
Aminomethyltransferase, mitochondrial
P48728
AMT
C-1-tetrahydrofolate synthase, cytoplasmic
P11586
MTHFD1
Corticosteroid 11-beta-dehydrogenase isozyme 1
P28845
HSD11B1
Dihydrofolate reductase
P00374
DHFR
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
P10515
DLAT
GDP-mannose 4,6 dehydratase
O60547
GMDS
Glycine cleavage system H protein, mitochondrial
P23434
GCSH
Inosine-5'-monophosphate dehydrogenase
A4D0Z6
IMPDH1
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase
Q9NRN7
AASDHPPT
Methylenetetrahydrofolate dehydrogenase (NADP+ dependent) 2, methenyltetrahydrofolate cyclohydrolase
Q7Z650
MTHFD2
NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa
A4D1T5
NDUFB2
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1
O15239
NDUFA1
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11
Q86Y39
NDUFA11
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12
Q9UI09
NDUFA12
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13
Q9P0J0
NDUFA13
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2
O43678
NDUFA2
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3
O95167
NDUFA3
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4
O00483
NDUFA4
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2
Q9NRX3
NDUFA4L2
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5
Q16718
NDUFA5
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6
P56556
NDUFA6
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7
O95182
NDUFA7
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8
P51970
NDUFA8
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1
O75438
NDUFB1
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial
Q9NX14
NDUFB11
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3
O43676
NDUFB3
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4
O95168
NDUFB4
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial
O43674
NDUFB5
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7
P17568
NDUFB7
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9
Q9Y6M9
NDUFB9
NADH dehydrogenase [ubiquinone] 1 subunit C2
O95298
NDUFC2
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
P08559
PDHA1
Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
P29803
PDHA2
Pyruvate dehydrogenase E1 component subunit beta, mitochondrial
P11177
PDHB