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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:clemizole(1+)
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Accession:CHEBI:52146 term browser browse the term
Definition:A pyrrolidinium ion that has formula C19H21ClN3.
Synonyms:exact_synonym: 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium
 related_synonym: Formula=C19H21ClN3;   InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2/p+1;   InChIKey=CJXAEXPPLWQRFR-UHFFFAOYSA-O;   SMILES=Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc23)cc1
 cyclic_relationship: is_conjugate_acid_of CHEBI:52140


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    chemical entity 19810
      molecular entity 19808
        ion 15938
          organic ion 8333
            organic cation 7151
              secondary ammonium ion 1
                pyrrolidinium ion 1
                  clemizole(1+) 0
                    clemizole(1+) salt + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            inorganic hydride 17433
                              pnictogen hydride 17405
                                nitrogen hydride 17247
                                  ammonium 8226
                                    ammonium ion derivative 8222
                                      secondary ammonium ion 1
                                        pyrrolidinium ion 1
                                          clemizole(1+) 0
                                            clemizole(1+) salt + 0
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