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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:gabexate methanesulfonate
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Accession:CHEBI:31641 term browser browse the term
Synonyms:related_synonym: Formula=C16H24N3O4.CH3O3S;   Formula=C17H27N3O7S;   Gabexate mesilate;   Gabexate monomethanesulfonate;   InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4);   InChIKey=DNTNDFLIKUKKOC-UHFFFAOYSA-N;   SMILES=C1(=CC=C(C=C1)C(OCC)=O)OC(CCCCCNC(N)=N)=O.S(=O)(=O)(C)O
 xref: CAS:56974-61-9;   KEGG:D01672


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Term Annotations click to browse term
  CHEBI ontology 5081
    chemical entity 5081
      atom 5072
        nonmetal atom 5036
          nitrogen atom 501
            nitrogen molecular entity 501
              organonitrogen compound 385
                guanidines 9
                  gabexate methanesulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5081
    subatomic particle 5072
      composite particle 5072
        hadron 5072
          baryon 5072
            nucleon 5072
              atomic nucleus 5072
                atom 5072
                  main group element atom 5042
                    p-block element atom 5039
                      chalcogen 4945
                        oxygen atom 4912
                          oxygen molecular entity 4912
                            hydroxides 4863
                              oxoacid 412
                                chalcogen oxoacid 80
                                  sulfur oxoacid 64
                                    sulfonic acid 33
                                      sulfo group 23
                                        organosulfonic acid 23
                                          alkanesulfonic acid 0
                                            methanesulfonic acid 0
                                              methanesulfonates 0
                                                methanesulfonate salt 0
                                                  gabexate methanesulfonate 0
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