NADH

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Systematic / IUPAC Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

ID: Reference13753

Other Names: Coenzyme I, reduced;
Reduced nicotinamide-adenine dinucleotide;
Reduced nicotinamide adenine diphosphate;
AA-4029

Formula: C21H29N7O14P2

Class: Endogenous Metabolites

Spectral Data

NADH 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 2342
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2026 4:26:39 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H29N7O14P2/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/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI Key BOPGDPNILDQYTO-NNYOXOHSSA-N
Canonical SMILES NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1
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Other Names Coenzyme I, reduced;
Reduced nicotinamide-adenine dinucleotide;
Reduced nicotinamide adenine diphosphate;
AA-4029

In Other Databases

Wikipedia NADH
PubChem 439153
ChemSpider 388299
HMDb HMDB0001487
ChEBI CHEBI:16908
ChEMBL CHEMBL1234616
DrugBank DB00157
KEGG C00004