Metabolomics Structure Database

 
MW REGNO: 67508
Common Name:NADP+
Systematic Name:Nicotinamide-adenine dinucleotide phosphate
RefMet Name:NADP+
Synonyms:NADP; coenzyme II; triphosphopyridine nucleotide; Codehydrase II; nicotinamide adenine dinucleotide phosphate [PubChem Synonyms]
Exact Mass:
744.0833 (neutral)    Calculate m/z:
Formula:C21H29N7O17P3
InChIKey:XJLXINKUBYWONI-NNYOXOHSSA-O
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)c1c[n+](ccc1)[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:5886
CHEBI ID:18009
HMDB ID:HMDB0000217
KEGG ID:C00006
BMRB ID:bmse000263
MetaCyc ID:NADP
NP-MRD ID(NMR):NP0000974

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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