RefMet Compound Details

MW structure37638 (View MW Metabolite Database details)
RefMet name5'-Methylthioadenosine
Systematic name(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
SMILESCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[n]1c[n]c2c(N)[n]c[n]c12
Sum Composition5'-Methylthioadenosine View other entries in RefMet with this sum composition
Exact mass297.089562 (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
FormulaC11H15N5O3SView other entries in RefMet with this formula
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine ribonucleosides
Pubchem CID439176
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 5''-Methylthioadenosine

Rxn IDKEGG ReactionEnzyme
R01402 5'-Methylthioadenosine + Orthophosphate <=> Adenine + S-Methyl-5-thio-D-ribose 1-phosphateS-methyl-5'-thioadenosine:phosphate S-methyl-5-thio-alpha-D-ribosyl-transferase

Table of KEGG human pathways containing 5''-Methylthioadenosine

Pathway IDHuman Pathway# of reactions
hsa00270 Cysteine and methionine metabolism 2
hsa00330 Arginine and proline metabolism 1
hsa00480 Glutathione metabolism 1
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