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
SMILESNc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-
17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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)
Human quantitationView measurements in targeted assays on human samples

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
R00086 ATP + H2O <=> ADP + OrthophosphateATP phosphohydrolase

Table of KEGG human pathways containing ATP

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 6
hsa00010 Glycolysis / Gluconeogenesis 1
hsa01200 Carbon metabolism 1
hsa01230 Biosynthesis of amino acids 1
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