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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 23810
    role 23697
      biological role 23660
        biochemical role 23006
          metabolite 22900
            fundamental metabolite 10121
              xanthine 4168
                7H-xanthine 3355
                  3-isobutyl-1-methyl-7H-xanthine 3313
Path 2
Term Annotations click to browse term
  CHEBI ontology 23810
    subatomic particle 23761
      composite particle 23761
        hadron 23761
          baryon 23761
            nucleon 23761
              atomic nucleus 23761
                atom 23761
                  main group element atom 23578
                    p-block element atom 23578
                      carbon group element atom 23291
                        carbon atom 23245
                          organic molecular entity 23245
                            organic molecule 23109
                              organic cyclic compound 22096
                                organic heterocyclic compound 20740
                                  organic heteropolycyclic compound 19865
                                    organic heterobicyclic compound 17269
                                      imidazopyrimidine 5745
                                        purines 5743
                                          aminopurine 4671
                                            2-aminopurines 4289
                                              guanine 4253
                                                xanthine 4168
                                                  7H-xanthine 3355
                                                    3-isobutyl-1-methyl-7H-xanthine 3313
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