RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0133216
RefMet name	NADP
Alternative name	NADP+
Systematic name	Nicotinamide-adenine dinucleotide phosphate
Synonyms	PubChem Synonyms
Exact mass	743.075462 (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	C21H28N7O17P3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	67508 (Download molfile/View MW Metabolite Database details)
InChI	InChI=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
InChIKey	XJLXINKUBYWONI-NNYOXOHSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c[n+](c1)[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)C(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Nicotinamides
Sub Class	Nicotinamide dinucleotides
Distribution of NADP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting NADP
External Links
Pubchem CID	5885
ChEBI ID	44409
KEGG ID	C00006
HMDB ID	HMDB0304435
MetaCyc ID	NADP
Spectral data for NADP standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving NADP

Rxn ID	KEGG Reaction	Enzyme
R00104	ATP + NAD+ <=> ADP + NADP+	ATP:NAD+ 2'-phosphotransferase
R00112	NADPH + NAD+ <=> NADP+ + NADH	NADPH:NAD+ oxidoreductase
R00119	NADP+ + Nicotinate <=> Nicotinamide + Nicotinic acid adenine dinucleotide phosphate	NADP+:nicotinate ADP-ribosyltransferase
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

Table of KEGG human pathways containing NADP

Pathway ID	Human Pathway	# of reactions
hsa00760	Nicotinate and nicotinamide metabolism	3