RefMet Compound Details

MW structure37851 (View MW Metabolite Database details)
RefMet namedATP
Systematic name({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
SMILESC1[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc12)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass491.000839 (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
FormulaC10H16N5O12P3View other entries in RefMet with this formula
InChIKeySUYVUBYJARFZHO-RRKCRQDMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine dNTP
Pubchem CID15993
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dATP

Rxn IDKEGG ReactionEnzyme
R01137 ATP + dADP <=> ADP + dATPATP:dADP phosphotransferase
R01138 dATP + Pyruvate <=> dADP + PhosphoenolpyruvatedATP:pyruvate 2-O-phosphotransferase

Table of KEGG human pathways containing dATP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 2