UCSF

ZINC53682927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 44 No

Popular Name: NADH NADH

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CAS Numbers: 58-68-4 , 606-68-8

Other Names:

1,4-Dihydronicotinamide adenine dinucleotide; DPNH; Dihydrocodehydrogenase I; Dihydrocozymase; Dihydronicotinamide adenine dinucleotide; Dihydronicotinamide mononucleotide; ENADA; NADH; NADH2; Reduced codehydrogenase I; Reduced diphosphopyridine nucleotid

1,4-Dihydronicotinamide adenine dinucleotide;b-DPNH;b-NADH;beta-DPNH;beta-NADH;Dihydrocodehydrogenase I;Dihydrocozymase;Dihydronicotinamide adenine dinucleotide;Dihydronicotinamide mononucleotide;DPNH;ENADA;NADH;NADH2;Reduced codehydrogenase I;Reduced dip

1,4-Dihydronicotinamide adenine dinucleotide;DPNH;Dihydrocodehydrogenase I;Dihydrocozymase;Dihydronicotinamide adenine dinucleotide;Dihydronicotinamide mononucleotide;ENADA;NADH;NADH2;Reduced codehydrogenase I;Reduced diphosphopyridine nucleotide;Reduced

58-68-4; C00004; DPNH; NADH; Reduced nicotinamide adenine dinucleotide

58-68-4; DPNH; NAD-reduced; NADH; NADH+H+; NADH2; dihydrodiphosphopyridine nucleotide; dihydronicotinamide adenine dinucleotide; diphosphopyridine nucleotide reduced; nicotinamide adenine dinucleotide reduced

beta-DPNH

beta-NADH

CHEBI:44216; CHEBI:13396; CHEBI:13395; CHEBI:21902; CHEBI:7423

Coenzyme I, reduced

Cozymase I, reduced

dihydrodiphosphopyridine nucleotide

dihydronicotinamide adenine dinucleotide

Diphosphopyridine nucleotide

diphosphopyridine nucleotide reduced

DPN

DPN+

DPNH

DPNH; NADH; bmse000054

NAD+

NAD-reduced

NADH (disodium salt)

NADH(2-)

NADH+H+

NADH2

NADH; NADH dianion

Nadide

Nicotinamide adenine dinucleotide

nicotinamide adenine dinucleotide reduced

Nicotinaminde-Adenine-Dinucleotide

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.59 -5.8 -146.58 8 21 -2 323 663.43 11 ↓
Mid Mid (pH 6-8) -5.53 -5.58 -152.56 8 21 -1 323 664.438 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.95e+00 g/l DrugBank-approved
UniProt Database Links 2ENR_CLOTY; 3BHD_COMTE; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MOUSE; 3BHS4_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_MOUSE; 3BHS7_RAT; 3BHS_BOVIN; 3BHS_CANFA; 3BHS_FOWPN; 3BHS_HOR ChEBI
UniProt Database Links 2ENR_CLOTY; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MOUSE; 3BHS4_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_MOUSE; 3BHS7_RAT; 3BHS_BOVIN; 3BHS_CANFA; 3BHS_FOWPN; 3BHS_HORSE; 3BHS_MYC ChEBI
Patent Database Links EP1318200; EP1531180; EP1586325; EP1826267; EP1847606; EP1938841; EP1972629; EP1987836; US2003105347; US2003181492; US2004176570; US2004235124; US2005049313; US2005124040; US2005159401; US2005181443; US2005214885; US2005227336; US2005272136; US2005276870 ChEBI
Reactome Database Links REACT_10031; REACT_10053; REACT_10056; REACT_10065; REACT_10067; REACT_10090; REACT_1010; REACT_10115; REACT_1068; REACT_1077; REACT_1080; REACT_11169; REACT_11182; REACT_11216; REACT_1146; REACT_115982; REACT_116077; REACT_120926; REACT_121064; REACT_121 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abacavir metabolism
Abnormal metabolism in phenylketonuria
alpha-linolenic acid (ALA) metabolism
Alpha-oxidation of phytanate
Amino acid synthesis and interconversion (transamination)
Androgen biosynthesis
Beta oxidation of butanoyl-CoA to acetyl-CoA
Beta oxidation of decanoyl-CoA to octanoyl-CoA-CoA
Beta oxidation of hexanoyl-CoA to butanoyl-CoA
Beta oxidation of lauroyl-CoA to decanoyl-CoA-CoA
Beta oxidation of myristoyl-CoA to lauroyl-CoA
Beta oxidation of octanoyl-CoA to hexanoyl-CoA
Beta oxidation of palmitoyl-CoA to myristoyl-CoA
Beta-oxidation of pristanoyl-CoA
Beta-oxidation of very long chain fatty acids
Branched-chain amino acid catabolism
Carnitine synthesis
Cell redox homeostasis
Cholesterol biosynthesis
Chorismate via Shikimate Pathway
Citric acid cycle (TCA cycle)
Cobalamin (Cbl, vitamin B12) transport and metabolism
De novo synthesis of GMP
Degradation of cysteine and homocysteine
Degradation of GABA
Ethanol oxidation
Formation of the active cofactor, UDP-glucuronate
Glucocorticoid biosynthesis
Gluconeogenesis
Glycolysis
Glycosphingolipid metabolism
Hypusine synthesis from eIF5A-lysine
Linoleic acid (LA) metabolism
Lipid metabolism
Lysine catabolism
Metabolism of serotonin
Mineralocorticoid biosynthesis
mitochondrial fatty acid beta-oxidation of unsaturated fatty acids
Mycothiol-dependent detoxification
Phenylalanine and tyrosine catabolism
Proline catabolism
Purine ribonucleoside monophosphate biosynthesis
Pyruvate metabolism
Regulation of pyruvate dehydrogenase (PDH) complex
Respiratory electron transport
Serine biosynthesis
Sphingolipid de novo biosynthesis
Sphingolipid metabolism
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of bile acids and bile salts via 24-hydroxycholesterol
Synthesis of bile acids and bile salts via 27-hydroxycholesterol
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Synthesis of Ketone Bodies
Synthesis of Lipoxins (LX)
Synthesis of PA
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
The activation of arylsulfatases
The canonical retinoid cycle in rods (twilight vision)
The tricarboxylic acid cycle
Tolerance by Mtb to nitric oxide produced by macrophages
Triglyceride Biosynthesis
Tryptophan catabolism
Urate synthesis
Utilization of Ketone Bodies
Vitamin C (ascorbate) metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )