RefMet Compound Details

MW structure50719 (View MW Metabolite Database details)
RefMet nameADP-ribose
Systematic name{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl}oxy)phosphinic acid
SMILESNc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Exact mass559.071681 (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
FormulaC15H23N5O14P2View other entries in RefMet with this formula
InChIInChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1
InChIKeySRNWOUGRCWSEMX-TYASJMOZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNDP
Pubchem CID33576
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 ADP-ribose

Rxn IDKEGG ReactionEnzyme
R01054 ADP-ribose + H2O <=> AMP + D-Ribose 5-phosphateADP-ribose ribophosphohydrolase

Table of KEGG human pathways containing ADP-ribose

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 1
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