Metabolomics Structure Database

MW REGNO: 50514
Common Name:NADPH
Systematic Name:Dihydronicotinamide-adenine dinucleotide phosphate
RefMet Name:NA-DPH
Synonyms:Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide; NADPH; dihydronicotinamide-adenine dinucleotide phosphate; reduced nicotinamide-adenine dinucleotide phosphate [PubChem Synonyms]
Exact Mass:
745.0911 (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)

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Calculated physicochemical properties (?):

Heavy Atoms: 48  
Rings: 5  
Aromatic Rings: 2  
Rotatable Bonds: 13  
van der Waals Molecular volume: 555.70 Å3 molecule-1  
Toplogical Polar Sufrace Area: 368.29 Å2 molecule-1  
Hydrogen Bond Donors: 9  
Hydrogen Bond Acceptors: 22  
logP: 0.69  
Molar Refractivity: 156.77  
Fraction sp3 Carbons: 0.52  
sp3 Carbons: 11  


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