RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118263
RefMet nameO-beta-D-Xylosylzeatin
Systematic name(2R,3R,4S,5R)-2-[(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]tetrahydropyran-3,4,5-triol
SynonymsPubChem Synonyms
Exact mass351.154269 (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
FormulaC15H21N5O5View other entries in RefMet with this formula
Molecular descriptors
Molfile71027 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3
,(H2,16,17,18,19,20)/b8-2+/t9-,11+,12-,15-/m1/s1
InChIKeyBTXBYCHDVZGXMF-SVOARWBNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC/C(=C\CNc1c2c(nc[nH]2)ncn1)/CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassOrganooxygen compounds
Sub ClassOrganooxygen compounds
Distribution of O-beta-D-Xylosylzeatin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting O-beta-D-Xylosylzeatin
External Links
Pubchem CID21158449
ChEBI ID17438
KEGG IDC03300
MetaCyc IDCPD-174
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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