Metabolomics Structure Database

 
MW REGNO: 50514
Common Name:NADPH
Systematic Name:Dihydronicotinamide-adenine dinucleotide phosphate
RefMet Name:NADPH
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:
Formula:C21H30N7O17P3
InChIKey:ACFIXJIJDZMPPO-NNYOXOHSSA-N
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
SMILES:NC(=O)C1CC=CN(C=1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)[n]2c[n]c3c2[n]c[n]c3N)[C@@H](O)[C@H]1O |&1:9,11,23,25,26,32,44,46|
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5884
CHEBI ID:16474
HMDB ID:HMDB0000221
KEGG ID:C00005
BMRB ID:bmse000055
MetaCyc ID:NADPH
NP-MRD ID(NMR):NP0001182

References

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

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