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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:1-methyl-7H-xanthine
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Accession:CHEBI:68444 term browser browse the term
Definition:A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position.
Synonyms:exact_synonym: 1-methyl-3,7-dihydro-1H-purine-2,6-dione
 related_synonym: Formula=C6H6N4O2;   InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12);   InChIKey=MVOYJPOZRLFTCP-UHFFFAOYSA-N;   SMILES=Cn1c(=O)[nH]c2nc[nH]c2c1=O
 xref: CAS:6136-37-4;   HMDB:HMDB0010738;   KEGG:C16358
 xref_mesh: MESH:C053085
 xref: MetaCyc:CPD-9025;   PMID:22770225;   Reaxys:171507


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1-methyl-7H-xanthine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 decreases activity
multiple interactions
ISO 1-methylxanthine results in decreased activity of CYP1A2 protein
[CYP1A2 protein results in increased metabolism of 1,7-dimethylxanthine] which results in increased chemical synthesis of 1-methylxanthine
CTD PMID:11465391, PMID:19215233 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
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G Xdh xanthine dehydrogenase multiple interactions
increases metabolic processing
ISO [XDH protein alternative form results in increased metabolism of 1-methylxanthine] which results in increased chemical synthesis of 1-methyluric acid CTD PMID:19215233 NCBI chr 6:25,149,570...25,211,273
Ensembl chr 6:25,149,235...25,211,494
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        biochemical role 19313
          metabolite 19294
            fundamental metabolite 12621
              xanthine 3890
                7H-xanthine 3096
                  1-methyl-7H-xanthine 2
                    1-methyl-3-propyl-7H-xanthine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  organic heteropolycyclic compound 17844
                                    organic heterobicyclic compound 16765
                                      imidazopyrimidine 5443
                                        purines 5441
                                          aminopurine 4398
                                            2-aminopurines 4008
                                              guanine 3972
                                                xanthine 3890
                                                  methylxanthine 1140
                                                    monomethylxanthine 2
                                                      1-methylxanthine 2
                                                        1-methyl-7H-xanthine 2
                                                          1-methyl-3-propyl-7H-xanthine 0
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