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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:8-chlorotheophylline
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Accession:CHEBI:59771 term browser browse the term
Definition:1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.
Synonyms:related_synonym: 1,3-dimethyl-8-chloroxanthine;   8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;   Formula=C7H7ClN4O2;   InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10);   InChIKey=RYIGNEOBDRVTHA-UHFFFAOYSA-N;   SMILES=Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O
 xref: Beilstein:203068;   CAS:85-18-7;   Reaxys:203068
 cyclic_relationship: is_conjugate_acid_of CHEBI:59778


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      application 863
        pharmaceutical 723
          drug 713
            central nervous system drug 162
              central nervous system stimulant 2
                8-chlorotheophylline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                organic heterocyclic compound 4626
                                  organic heteropolycyclic compound 4424
                                    organic heterobicyclic compound 141
                                      imidazopyrimidine 37
                                        purines 37
                                          8-chlorotheophylline 0
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