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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:umeclidinium
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Accession:CHEBI:79041 term browser browse the term
Definition:A quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively.
Synonyms:exact_synonym: 1-[2-(benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane
 related_synonym: Formula=C29H34NO2;   InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1/t28-,30+;   InChIKey=FVTWTVQXNAJTQP-KRKINAOUSA-N;   SMILES=OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2
 xref: CAS:869185-19-3;   KEGG:D10180;   PMID:23026438;   PMID:23276660;   PMID:23569370;   PMID:23949963;   PMID:24385182;   PMID:24393134;   PMID:24429003;   PMID:24532124;   PMID:24696868;   PMID:24756395;   PMID:24895108;   PMID:24947493


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    chemical entity 501
      molecular entity 494
        ion 32
          organic ion 19
            organic cation 11
              quaternary ammonium ion 5
                umeclidinium 0
                  umeclidinium bromide + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            inorganic hydride 327
                              pnictogen hydride 326
                                nitrogen hydride 326
                                  ammonium 5
                                    ammonium ion derivative 5
                                      quaternary ammonium ion 5
                                        umeclidinium 0
                                          umeclidinium bromide + 0
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