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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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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            central nervous system drug 0
              central nervous system stimulant 0
                8-chlorotheophylline 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      imidazopyrimidine 0
                                        purines 0
                                          8-chlorotheophylline 0
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