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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:ToTo-1(4+)
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Accession:CHEBI:52929 term browser browse the term
Definition:The tetracation of ToTo-1 dye.
Synonyms:exact_synonym: 1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
 related_synonym: Formula=C49H58N6S2;   InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4;   InChIKey=RUIOCPBCVXVVMB-UHFFFAOYSA-N;   SMILES=[N+]=1(C2=C(C=CC=C2)C(=CC1)C(=C3N(C4=C(S3)C=CC=C4)C)[H])CCC[N+](CCC[N+](CCC[N+]=5C6=C(C=CC=C6)C(=CC5)C(=C7N(C8=C(S7)C=CC=C8)C)[H])(C)C)(C)C;   ToTo-1 cation;   ToTo-1 tetracation
 xref: PDBeChem:TOT;   PMID:7612596


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21737
    role 21715
      application 21221
        dye 1308
          cyanine dye 9
            ToTo-1(4+) 0
              ToTo-1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21737
    subatomic particle 21723
      composite particle 21723
        hadron 21723
          baryon 21723
            nucleon 21723
              atomic nucleus 21723
                atom 21723
                  main group element atom 21638
                    main group molecular entity 21638
                      s-block molecular entity 21174
                        hydrogen molecular entity 21111
                          hydrides 20360
                            inorganic hydride 18058
                              pnictogen hydride 18021
                                nitrogen hydride 17840
                                  ammonium 8105
                                    ammonium ion derivative 8101
                                      quaternary ammonium ion 5257
                                        ToTo-1(4+) 0
                                          ToTo-1 0
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