Metabolomics Structure Database

 
MW REGNO: 37737
Common Name:ADP
Systematic Name:[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
RefMet Name:ADP
Synonyms:Adenosine diphosphate; Adenosine 5' diphosphate [PubChem Synonyms]
Exact Mass:
427.0294 (neutral)    Calculate m/z:
Formula:C10H15N5O10P2
InChIKey:XTWYTFMLZFPYCI-KQYNXXCUSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine ribonucleotides [C0001544]
ClassyFire direct parent:Purine ribonucleoside diphosphates [C0001618]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:Nc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |&1:10,12,23,25|
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6022
CHEBI ID:16761
HMDB ID:HMDB0001341
KEGG ID:C00008
Chemspider ID:5800
METLIN ID:6175
BMRB ID:bmse000991
MetaCyc ID:ADP
NP-MRD ID(NMR):NP0000068

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

  logo