RefMet Compound Details

MW structure37298 (View MW Metabolite Database details)
RefMet nameATP
Systematic name({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](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)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass506.995754 (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
FormulaC10H16N5O13P3View other entries in RefMet with this formula
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNTP
Pubchem CID5957
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving ATP

Rxn IDKEGG ReactionEnzyme
R00089 ATP <=> 3',5'-Cyclic AMP + DiphosphateATP diphosphate-lyase (cyclizing
R00087 ATP + H2O <=> AMP + DiphosphateATP diphosphohydrolase (diphosphate-forming)
R00184 P1,P4-Bis(5'-adenosyl)tetraphosphate + H2O <=> ATP + AMPP1,P4-bis(5'-adenosyl)-tetraphosphate adenylohydrolase
R00200 ATP + Pyruvate <=> ADP + PhosphoenolpyruvateATP:pyruvate 2-O-phosphotransferase
R00124 ATP + ADP <=> ADP + ATPATP:ADP phosphatransferase
R00331 ATP + NDP <=> ADP + Nucleoside triphosphateATP:nucleoside-diphosphate phosphotransferase
R00086 ATP + H2O <=> ADP + OrthophosphateATP phosphohydrolase

Table of KEGG human pathways containing ATP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 7
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