RefMet Compound Details

MW structure67508 (View MW Metabolite Database details)
RefMet nameNADP+
Systematic nameNicotinamide-adenine dinucleotide phosphate
SMILESNC(=O)c1c[n+](ccc1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)[n]2c[n]c3c2[n
]c[n]c3N)[C@@H](O)[C@H]1O
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass743.075462 (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
FormulaC21H28N7O17P3View other entries in RefMet with this formula
InChIInChI=1S/C21H28N7O17P3/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/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/
t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassNicotinamides
Sub ClassNicotinamide dinucleotides
Pubchem CID5886
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving NADP+

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)
R00104 ATP + NAD+ <=> ADP + NADP+ATP:NAD+ 2'-phosphotransferase
R00119 NADP+ + Nicotinate <=> Nicotinamide + Nicotinic acid adenine dinucleotide phosphateNADP+:nicotinate ADP-ribosyltransferase
R02736 beta-D-Glucose 6-phosphate + NADP+ <=> D-Glucono-1,5-lactone 6-phosphate + NADPH + H+beta-D-glucose-6-phosphate:NADP+ 1-oxoreductase
R00112 NADPH + NAD+ <=> NADP+ + NADHNADPH:NAD+ oxidoreductase

Table of KEGG human pathways containing NADP+

Pathway IDHuman Pathway# of reactions
hsa00760 Nicotinate and nicotinamide metabolism 3
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