Metabolomics Structure Database

MW REGNO: 42581
Common Name:NADH
Systematic Name:Dihydronicotinamide-adenine dinucleotide
RefMet Name:NADH
Synonyms:Nicotinamide adenine dinucleotide (reduced) [PubChem Synonyms]
Exact Mass:
665.1248 (neutral)    Calculate m/z:
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:(5'->5')-dinucleotides [C0003468]
ClassyFire subclass:(5'->5')-dinucleotides [C0003468]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:439153
CHEBI ID:16908
KEGG ID:C00004
Chemspider ID:388299
BMRB ID:bmse000054
NP-MRD ID(NMR):NP0000876
Plant Metabolite Hub(Pmhub):MS000009862

Calculated physicochemical properties (?):

Heavy Atoms: 44  
Rings: 5  
Aromatic Rings: 2  
Rotatable Bonds: 11  
van der Waals Molecular volume: 509.50 Å3 molecule-1  
Toplogical Polar Sufrace Area: 321.76 Å2 molecule-1  
Hydrogen Bond Donors: 8  
Hydrogen Bond Acceptors: 19  
logP: 0.23  
Molar Refractivity: 146.14  
Fraction sp3 Carbons: 0.52  
sp3 Carbons: 11  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y