RefMet Compound Details

MW structure37737 (View MW Metabolite Database details)
RefMet nameADP
Systematic name[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
SMILESC([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O)OP(=O)(O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass427.029421 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H15N5O10P2View other entries in RefMet with this formula
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNDP
Pubchem CID6022
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving ADP

Rxn IDKEGG ReactionEnzyme
R00333 Nucleoside triphosphate + AMP <=> NDP + ADPnucleoside-triphosphate:AMP phosphotransferase
R00200 ATP + Pyruvate <=> ADP + PhosphoenolpyruvateATP:pyruvate 2-O-phosphotransferase
R00124 ATP + ADP <=> ADP + ATPATP:ADP phosphatransferase
R00086 ATP + H2O <=> ADP + OrthophosphateATP phosphohydrolase
R00122 ADP + H2O <=> AMP + OrthophosphateADP phosphohydrolase
R00127 ATP + AMP <=> 2 ADPATP:AMP phosphotransferase
R02017 dADP + Thioredoxin disulfide + H2O <=> Thioredoxin + ADP2'-Deoxyadenosine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase
R00331 ATP + NDP <=> ADP + Nucleoside triphosphateATP:nucleoside-diphosphate phosphotransferase
R00187 P1,P3-Bis(5'-adenosyl) triphosphate + H2O <=> ADP + AMPP1,P3-bis(5'-adenosyl)-triphosphate adenylohydrolase

Table of KEGG human pathways containing ADP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 9
hsa01100 Metabolic pathways 1
hsa00010 Glycolysis / Gluconeogenesis 1
hsa01230 Biosynthesis of amino acids 1
hsa01232 Nucleotide metabolism 1
hsa01240 Biosynthesis of cofactors 1
hsa01200 Carbon metabolism 1