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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 23806
    role 23693
      biological role 23656
        biochemical role 23002
          metabolite 22897
            fundamental metabolite 10042
              xanthine 4168
                7H-xanthine 3355
                  3-isobutyl-1-methyl-7H-xanthine 3313
Path 2
Term Annotations click to browse term
  CHEBI ontology 23806
    subatomic particle 23757
      composite particle 23757
        hadron 23757
          baryon 23757
            nucleon 23757
              atomic nucleus 23757
                atom 23757
                  main group element atom 23576
                    p-block element atom 23576
                      carbon group element atom 23289
                        carbon atom 23243
                          organic molecular entity 23243
                            organic molecule 23107
                              organic cyclic compound 22098
                                organic heterocyclic compound 20742
                                  organic heteropolycyclic compound 19867
                                    organic heterobicyclic compound 17270
                                      imidazopyrimidine 5739
                                        purines 5737
                                          aminopurine 4668
                                            2-aminopurines 4289
                                              guanine 4253
                                                xanthine 4168
                                                  7H-xanthine 3355
                                                    3-isobutyl-1-methyl-7H-xanthine 3313
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