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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:tetrindole mesylate
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Accession:CHEBI:77779 term browser browse the term
Definition:A racemate composed of equimolar amounts of (R)- and (S)-tetrindole mesylate.
Synonyms:exact_synonym: rac-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-3-ium methanesulfonate;   rac-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole methanesulfonate
 related_synonym: 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);   InChIKey=CWPNPYVNPOAMHY-UHFFFAOYSA-N;   SMILES=CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1;   tetrindole methanesulfonate
 xref: Reaxys:7327421;   Wikipedia:Tetrindole



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      chemical substance 14399
        mixture 13718
          racemate 12091
            tetrindole mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      chalcogen 19537
                        oxygen atom 19511
                          oxygen molecular entity 19511
                            hydroxides 19321
                              oxoacid 18742
                                chalcogen oxoacid 13764
                                  sulfur oxoacid 13552
                                    sulfonic acid 11590
                                      sulfo group 9913
                                        organosulfonic acid 9913
                                          alkanesulfonic acid 4006
                                            methanesulfonic acid 3996
                                              methanesulfonates 3993
                                                methanesulfonate salt 2
                                                  (R)-tetrindole mesylate 0
                                                    tetrindole mesylate 0
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