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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        biochemical role 19177
          metabolite 19147
            fundamental metabolite 9422
              xanthine 3884
                7H-xanthine 3098
                  3-isobutyl-1-methyl-7H-xanthine 3056
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic molecule 19418
                              organic cyclic compound 19189
                                organic heterocyclic compound 18267
                                  organic heteropolycyclic compound 17572
                                    organic heterobicyclic compound 16245
                                      imidazopyrimidine 5417
                                        purines 5415
                                          aminopurine 4372
                                            2-aminopurines 3998
                                              guanine 3962
                                                xanthine 3884
                                                  7H-xanthine 3098
                                                    3-isobutyl-1-methyl-7H-xanthine 3056
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