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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
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  CHEBI ontology 909
    role 868
      application 503
        dye 3
          cyanine dye 0
            ToTo-1(4+) 0
              ToTo-1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    main group molecular entity 861
                      s-block molecular entity 746
                        hydrogen molecular entity 733
                          hydrides 354
                            inorganic hydride 246
                              pnictogen hydride 242
                                nitrogen hydride 242
                                  ammonium 23
                                    ammonium ion derivative 23
                                      quaternary ammonium ion 16
                                        ToTo-1(4+) 0
                                          ToTo-1 0
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