RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0049281
RefMet nameAdenine
Systematic name7H-purin-6-amine
SynonymsPubChem Synonyms
Exact mass135.054495 (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
FormulaC5H5N5View other entries in RefMet with this formula
Molecular descriptors
Molfile37038 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1nc2c(N)ncnc2[nH]1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassNucleic acids
Main ClassPurines
Sub ClassAminopurines
Distribution of Adenine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Adenine
External Links
Pubchem CID190
ChEBI ID16708
KEGG IDC00147
HMDB IDHMDB0000034
Chemspider ID185
MetaCyc IDADENINE
EPA CompToxDTXCID502557
PhytoHub DBPHUB001480
Spectral data for Adenine 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 Adenine

Rxn IDKEGG ReactionEnzyme
R00182 AMP + H2O <=> Adenine + D-Ribose 5-phosphateAMP phosphoribohydrolase
R00190 AMP + Diphosphate <=> Adenine + 5-Phospho-alpha-D-ribose 1-diphosphateAMP:diphosphate phospho-D-ribosyltransferase
R01245 Adenosine + H2O <=> Adenine + D-RiboseAdenosine ribohydrolase
R01561 Adenosine + Orthophosphate <=> Adenine + alpha-D-Ribose 1-phosphateadenosine:phosphate alpha-D-ribosyltransferase
R02557 Deoxyadenosine + Orthophosphate <=> Adenine + 2-Deoxy-D-ribose 1-phosphateDeoxyadenosine:orthophosphate ribosyltransferase
R10836 AMP + Orthophosphate <=> Adenine + D-Ribose 1,5-bisphosphateAMP:phosphate (5-phospho-alpha-D-ribosyl)transferase
R12987 Adenine + NAD+ + H2O <=> 8-Hydroxyadenine + NADH + H+adenine:NAD+ oxidoreductase
R12989 Adenine + H2O + Oxygen <=> 8-Hydroxyadenine + Hydrogen peroxideadenine:oxygen oxidoreductase

Table of KEGG human pathways containing Adenine

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 5
hsa01100 Metabolic pathways 3
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