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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:(S)-tetrindole mesylate
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Accession:CHEBI:77785 term browser browse the term
Definition:A methanesulfonate (mesylate) salt prepared from equimolar amounts of (S)-tetrindole and methanesulfonic acid.
Synonyms:exact_synonym: (3aS)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-3-ium methanesulfonate;   (3aS)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole methanesulfonate
 related_synonym: (S)-tetrindole methanesulfonate;   Formula=C21H30N2O3S;   InChI=1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)/t18-;/m0./s1;   InChIKey=CWPNPYVNPOAMHY-FERBBOLQSA-N;   SMILES=CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1
 cyclic_relationship: is_enantiomer_of CHEBI:77782


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Term Annotations click to browse term
  CHEBI ontology 22194
    chemical entity 22193
      molecular entity 22185
        ion 17694
          organic ion 10082
            organic cation 9100
              (S)-tetrindole(1+) 0
                (S)-tetrindole mesylate 0
                  tetrindole mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      chalcogen 21446
                        oxygen atom 21425
                          oxygen molecular entity 21425
                            hydroxides 20801
                              oxoacid 20115
                                chalcogen oxoacid 14385
                                  sulfur oxoacid 14170
                                    sulfonic acid 12015
                                      sulfo group 10348
                                        organosulfonic acid 10348
                                          alkanesulfonic acid 4037
                                            methanesulfonic acid 4026
                                              methanesulfonates 4023
                                                methanesulfonate salt 2
                                                  (S)-tetrindole mesylate 0
                                                    tetrindole mesylate 0
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