Nicotinamide adenine dinucleotide (NAD+)

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

ID: Reference873

Other Names: Nicotinamide adenine dinucleotide;
Nicotineamide adenine dinucleotide;
Oxidized diphosphopyridine nucleotide;
β-Nicotinamide adenine dinucleotide;
Nadide ; more

Formula: C21H28N7O14P2 +

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 4795
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI
Analyzers FT
Last Modification 3/20/2015 10:30:05 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI Key BAWFJGJZGIEFAR-NNYOXOHSSA-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)O)O)O)O)C(=O)N
CAS 53849
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Other Names Nicotinamide adenine dinucleotide;
Nicotineamide adenine dinucleotide;
Oxidized diphosphopyridine nucleotide;
β-Nicotinamide adenine dinucleotide;
Nadide;
Codehydrase I;
Codehydrogenase I;
Endopride;
Cozymase

In Other Databases

ChEMBL CHEMBL3039307
KEGG C00003; D00002
ChemIDPlus 000053849; 000606688; 066844062; 064417727
PubChem 5893
Wikipedia Nicotinamide adenine dinucleotide
ChEBI CHEBI:15846
ChemSpider 5681
HMDb HMDB01487; HMDB00902