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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:meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)
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Accession:CHEBI:78039 term browser browse the term
Definition:An organosulfonate salt that is the tetrakis(p-toluenesulfonate) salt of meso-tetrakis(N-methyl-4-pyridyl)porphine.
Synonyms:exact_synonym: 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate)
 related_synonym: 5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate);   Formula=C72H66N8O12S4;   InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;;   InChIKey=AKZFRMNXBLFDNN-GVHKZQBISA-K;   SMILES=Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2;   TMPyP4 tetratosylate;   TMPyP4 tosylate;   meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate salt
 xref: CAS:36951-72-1;   Reaxys:5237096


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  CHEBI ontology 19792
    role 19738
      application 19385
        pharmaceutical 19255
          drug 19255
            antineoplastic agent 16999
              meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 0
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  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19483
                              organic cyclic compound 19252
                                organic heterocyclic compound 18422
                                  organonitrogen heterocyclic compound 17477
                                    polypyrrole 610
                                      tetrapyrrole 498
                                        cyclic tetrapyrrole 369
                                          porphyrins 342
                                            porphyrin 1
                                              meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) 1
                                                meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 0
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