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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 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            central nervous system drug 16514
              central nervous system stimulant 6866
                8-chlorotheophylline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteropolycyclic compound 18043
                                    organic heterobicyclic compound 16859
                                      imidazopyrimidine 5618
                                        purines 5616
                                          8-chlorotheophylline 0
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