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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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  CHEBI ontology 834
    role 811
      biological role 811
        biochemical role 684
          metabolite 668
            fundamental metabolite 76
              xanthine 1
                7H-xanthine 0
                  3-isobutyl-1-methyl-7H-xanthine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 834
    subatomic particle 818
      composite particle 818
        hadron 818
          baryon 818
            nucleon 818
              atomic nucleus 818
                atom 818
                  main group element atom 806
                    p-block element atom 803
                      carbon group element atom 774
                        carbon atom 770
                          organic molecular entity 770
                            organic molecule 687
                              organic cyclic compound 612
                                organic heterocyclic compound 325
                                  organic heteropolycyclic compound 235
                                    organic heterobicyclic compound 91
                                      imidazopyrimidine 23
                                        purines 23
                                          aminopurine 17
                                            2-aminopurines 4
                                              guanine 4
                                                xanthine 1
                                                  7H-xanthine 0
                                                    3-isobutyl-1-methyl-7H-xanthine 0
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