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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:atenolol-desisopropyl
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Accession:CHEBI:83530 term browser browse the term
Definition:A member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol.
Synonyms:exact_synonym: 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide
 related_synonym: 4-(3-amino-2-hydroxypropoxy)phenylacetamide;   Formula=C11H16N2O3;   InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15);   InChIKey=UWMXVJVTKRSOPW-UHFFFAOYSA-N;   SMILES=NCC(O)COc1ccc(CC(N)=O)cc1
 xref: Reaxys:5530849


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      application 25172
        NMR chemical shift reference compound 20287
          ammonia 19941
            organic amino compound 19941
              primary amino compound 9935
                atenolol-desisopropyl 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbon oxoacid 22749
                                    carboxylic acid 22729
                                      carboacyl group 20055
                                        univalent carboacyl group 20055
                                          carbamoyl group 19568
                                            carboxamide 19580
                                              monocarboxylic acid amide 16961
                                                atenolol-desisopropyl 0
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