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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:gemifloxacin mesylate
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Accession:CHEBI:53749 term browser browse the term
Definition:The mesylate salt of gemifloxacin.
Synonyms:exact_synonym: 7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid methanesulfonate
 related_synonym: Formula=C19H24FN5O7S;   InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;;   InChIKey=JIYMVSQRGZEYAX-CWUUNJJBSA-N;   SMILES=CS(O)(=O)=O.CO\\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
 xref: Beilstein:9176911;   CAS:210353-53-0;   DrugBank:DB01155;   KEGG:D02471


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Term Annotations click to browse term
  CHEBI ontology 19879
    role 19850
      biological role 19848
        antimicrobial agent 18257
          gemifloxacin mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      chalcogen 19569
                        oxygen atom 19541
                          oxygen molecular entity 19541
                            hydroxides 19350
                              oxoacid 18798
                                chalcogen oxoacid 13804
                                  sulfur oxoacid 13596
                                    sulfonic acid 11624
                                      sulfo group 9959
                                        organosulfonic acid 9959
                                          alkanesulfonic acid 4013
                                            methanesulfonic acid 4003
                                              methanesulfonates 4000
                                                methanesulfonate salt 2
                                                  gemifloxacin mesylate 0
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