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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
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 paths to the root
    Path 1
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      CHEBI ontology 19874
        role 19844
          biological role 19842
            biochemical role 19549
              metabolite 19537
                fundamental metabolite 14526
                  xanthine 6192
                    7H-xanthine 3131
                      3-isobutyl-1-methyl-7H-xanthine 3086
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      CHEBI ontology 19874
        subatomic particle 19872
          composite particle 19872
            hadron 19872
              baryon 19872
                nucleon 19872
                  atomic nucleus 19872
                    atom 19872
                      main group element atom 19811
                        p-block element atom 19811
                          carbon group element atom 19751
                            carbon atom 19748
                              organic molecular entity 19748
                                organic molecule 19700
                                  organic cyclic compound 19490
                                    organic heterocyclic compound 18868
                                      organic heteropolycyclic compound 18294
                                        organic heterobicyclic compound 17237
                                          imidazopyrimidine 7756
                                            purines 7755
                                              aminopurine 6726
                                                2-aminopurines 6300
                                                  guanine 6273
                                                    xanthine 6192
                                                      7H-xanthine 3131
                                                        3-isobutyl-1-methyl-7H-xanthine 3086
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