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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 22306
    role 22291
      biological role 22290
        biochemical role 21503
          cofactor 17270
            ammonium 8227
              ammonium ion derivative 8222
                acebutolol(1+) 0
                  acebutolol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    main group molecular entity 22181
                      s-block molecular entity 21767
                        hydrogen molecular entity 21682
                          hydrides 20793
                            inorganic hydride 18732
                              pnictogen hydride 18712
                                nitrogen hydride 18587
                                  ammonium 8227
                                    ammonium ion derivative 8222
                                      acebutolol(1+) 0
                                        acebutolol hydrochloride 0
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