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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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              meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 0
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                                  organonitrogen heterocyclic compound 0
                                    polypyrrole 0
                                      tetrapyrrole 0
                                        cyclic tetrapyrrole 0
                                          porphyrins 0
                                            porphyrin 0
                                              meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) 0
                                                meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 0
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