Nicotinamide adenine dinucleotide phosphate (NADP+)

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Systematic / IUPAC Name: [5-(6-Aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

ID: Reference915

Other Names: Nicotinamide adenine dinucleotide phosphate;
β-Nicotinamide adenine dinucleotide phosphate;
Adenine-nicotinamide dinucleotide phosphate;
NADP+;
Coenzyme II ; more

Formula: C21H29N7O17P3 +

Class: Endogenous Metabolites

Spectral Data

Nicotinamide adenine dinucleotide phosphate (NADP+) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 259
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 3/27/2015 1:48:35 PM
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Identificators

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
InChI Key XJLXINKUBYWONI-UHFFFAOYSA-O
Canonical SMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=
CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N
CAS 53598
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Other Names Nicotinamide adenine dinucleotide phosphate;
β-Nicotinamide adenine dinucleotide phosphate;
Adenine-nicotinamide dinucleotide phosphate;
NADP+;
Coenzyme II;
Codehydrase II;
β-TPN;
β-NADP

In Other Databases

Wikipedia Nicotinamide adenine dinucleotide phosphate
ChEBI CHEBI:44409
PubChem 5885
ChEMBL CHEMBL295069
ChemSpider 5674