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ONTOLOGY REPORT - ANNOTATIONS


Term:3-isobutyl-1-methyl-7H-xanthine
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Accession:CHEBI:34795 term browser browse the term
Definition:A 3-isobutyl-1-methylxanthine that has formula C10H14N4O2.
Synonyms:exact_synonym: 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
 related_synonym: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;   1-methyl-3-isobutylxanthine;   3-Isobutyl-1-methyxanthine;   3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione;   3-isobutyl-1-methylxanthine;   Formula=C10H14N4O2;   IBMX;   InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12);   InChIKey=APIXJSLKIYYUKG-UHFFFAOYSA-N;   SMILES=CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
 xref: Beilstein:247859 "Beilstein";   CAS:28822-58-4 "ChemIDplus";   KEGG:C13708;   LINCS:LSM-24983
 xref_mesh: MESH:D015056
 xref: PDBeChem:IBM
 cyclic_relationship: is_tautomer_of CHEBI:43253


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Term Annotations click to browse term
  CHEBI ontology 21258
    role 21241
      biological role 21239
        biochemical role 20281
          metabolite 20220
            fundamental metabolite 9747
              xanthine 3920
                7H-xanthine 3132
                  3-isobutyl-1-methyl-7H-xanthine 3090
Path 2
Term Annotations click to browse term
  CHEBI ontology 21258
    subatomic particle 21254
      composite particle 21254
        hadron 21254
          baryon 21254
            nucleon 21254
              atomic nucleus 21254
                atom 21254
                  main group element atom 21120
                    p-block element atom 21120
                      carbon group element atom 20892
                        carbon atom 20783
                          organic molecular entity 20783
                            organic molecule 20666
                              organic cyclic compound 20121
                                organic heterocyclic compound 18981
                                  organic heteropolycyclic compound 18406
                                    organic heterobicyclic compound 17045
                                      imidazopyrimidine 5452
                                        purines 5450
                                          aminopurine 4411
                                            2-aminopurines 4038
                                              guanine 4002
                                                xanthine 3920
                                                  7H-xanthine 3132
                                                    3-isobutyl-1-methyl-7H-xanthine 3090
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