RefMet Compound Details

MW structure	50514 (View MW Metabolite Database details)
RefMet name	NA-DPH
Alternative name	NADPH
Systematic name	Dihydronicotinamide-adenine dinucleotide phosphate
SMILES	C1=CN(C=C(C1)C(=O)N)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](n3cnc4c(N)ncnc34) O2)OP(=O)(O)O)O)O1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	745.091112 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C21H30N7O17P3	View other entries in RefMet with this formula
InChI	InChI=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
InChIKey	ACFIXJIJDZMPPO-NNYOXOHSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Nicotinamides
Sub Class	Nicotinamide dinucleotides
Pubchem CID	5884
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving NA-DPH

Rxn ID	KEGG Reaction	Enzyme
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