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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:acebutolol(1+)
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Accession:CHEBI:62101 term browser browse the term
Definition:An ammonium ion that results from the protonation of the amine nitrogen of acebutolol.
Synonyms:exact_synonym: 3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxy-N-(propan-2-yl)propan-1-aminium
 related_synonym: Formula=C18H29N2O4;   InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/p+1;   InChIKey=GOEMGAFJFRBGGG-UHFFFAOYSA-O;   SMILES=CCCC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)C)c(c1)C(C)=O
 cyclic_relationship: is_conjugate_acid_of CHEBI:2379

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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          cofactor 1
            ammonium 0
              ammonium ion derivative 0
                acebutolol(1+) 0
                  acebutolol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            inorganic hydride 1
                              pnictogen hydride 1
                                nitrogen hydride 1
                                  ammonium 0
                                    ammonium ion derivative 0
                                      acebutolol(1+) 0
                                        acebutolol hydrochloride 0
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