Chemical Component Summary

NameNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Identifiers[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
FormulaC21 H30 N7 O17 P3
Molecular Weight745.42
TypeNON-POLYMER
Isomeric SMILESNC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
InChIInChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-NNYOXOHSSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count10
Bond Count82
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02338 
NameNADPH
Groupsexperimental
Synonyms
  • NADPH
  • Dihydronicotinamide-adenine dinucleotide phosphate
  • TPNH
  • Reduced nicotinamide adenine dinucleotide phosphate
Categories
  • Adenine Nucleotides
  • Carbohydrates
  • Coenzymes
  • Enzymes and Coenzymes
  • Glycosides
CAS number53-57-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Thioredoxin reductase 1, cytoplasmicMGCAEGKAVAAAAPTELQTKGKNGDGRRRSAKDHHPGKTLPENPAGFTST...unknown
Glucose-6-phosphate 1-dehydrogenaseMVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQAL...unknown
Pteridine reductase 1MTAPTVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSAT...unknown
Glucose--fructose oxidoreductaseMTNKISSSDNLSNAVSATDDNASRTPNLTRRALVGGGVGLAAAGALASGL...unknown
Dihydropyrimidine dehydrogenase [NADP(+)]MAPVLSKDSADIESILALNPRTQTHATLCSTSAKKLDKKHWKRNPDKNCF...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682