RefMet Compound Details

MW structure39046 (View MW Metabolite Database details)
RefMet namePropinol adenylate
Systematic name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid
SMILESCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass403.089303 (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
FormulaC13H18N5O8PView other entries in RefMet with this formula
InChIKeyZGNGGJLVZZHLQM-ZRFIDHNTSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine rNMP
Pubchem CID440863
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Propinol adenylate

Rxn IDKEGG ReactionEnzyme
R00926 Propionyladenylate + CoA <=> AMP + Propanoyl-CoAPropionyladenylate:CoA propionyltransferase
R01354 ATP + Propanoate <=> Diphosphate + PropionyladenylateATP:propanoate adenylyltransferase

Table of KEGG human pathways containing Propinol adenylate

Pathway IDHuman Pathway# of reactions
hsa00640 Propanoate metabolism 2