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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;   CAS:28822-58-4;   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 19758
    role 19705
      biological role 19704
        biochemical role 19206
          metabolite 19180
            fundamental metabolite 9678
              xanthine 3885
                7H-xanthine 3102
                  3-isobutyl-1-methyl-7H-xanthine 3060
Path 2
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  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      carbon group element atom 19532
                        carbon atom 19521
                          organic molecular entity 19521
                            organic molecule 19441
                              organic cyclic compound 19203
                                organic heterocyclic compound 18278
                                  organic heteropolycyclic compound 17585
                                    organic heterobicyclic compound 16255
                                      imidazopyrimidine 5429
                                        purines 5427
                                          aminopurine 4379
                                            2-aminopurines 4002
                                              guanine 3966
                                                xanthine 3885
                                                  7H-xanthine 3102
                                                    3-isobutyl-1-methyl-7H-xanthine 3060
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