RefMet Compound Details

MW structure50514 (View MW Metabolite Database details)
RefMet nameNADPH
Systematic nameDihydronicotinamide-adenine dinucleotide phosphate
SMILESNC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H]
(O)[C@H]2O)C=CC1
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass745.091112 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC21H30N7O17P3View other entries in RefMet with this formula
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-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassNicotinamides
Sub ClassNicotinamide dinucleotides
Pubchem CID5884
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving NADPH

Rxn IDKEGG ReactionEnzyme
R00267 Isocitrate + NADP+ <=> 2-Oxoglutarate + CO2 + NADPH + H+Isocitrate:NADP+ oxidoreductase (decarboxylating)
R01528 6-Phospho-D-gluconate + NADP+ <=> D-Ribulose 5-phosphate + CO2 + NADPH + H+6-phospho-D-gluconate:NADP+ 2-oxidoreductase (decarboxylating)
R02736 beta-D-Glucose 6-phosphate + NADP+ <=> D-Glucono-1,5-lactone 6-phosphate + NADPH + H+beta-D-glucose-6-phosphate:NADP+ 1-oxoreductase
  logo