RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138930
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
SynonymsPubChem Synonyms
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
Molecular descriptors
Molfile37298 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNTP
Distribution of ATP in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting ATP
External Links
Pubchem CID5957
ChEBI ID15422
KEGG IDC00002
HMDB IDHMDB0000538
Chemspider ID5742
MetaCyc IDATP
EPA CompToxDTXCID00200700
Spectral data for ATP standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
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
R00086 ATP + H2O <=> ADP + OrthophosphateATP phosphohydrolase
R00087 ATP + H2O <=> AMP + DiphosphateATP diphosphohydrolase (diphosphate-forming)
R00089 ATP <=> 3',5'-Cyclic AMP + DiphosphateATP diphosphate-lyase (cyclizing
R00124 ATP + ADP <=> ADP + ATPATP:ADP phosphatransferase
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
R00331 ATP + NDP <=> ADP + Nucleoside triphosphateATP:nucleoside-diphosphate phosphotransferase

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
  logo