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ONTOLOGY REPORT - ANNOTATIONS


Term:tetrasulfocyanine acid
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Accession:CHEBI:68631 term browser browse the term
Definition:A arenesulfonic acid in which two sulfonated indole moieties are linked via a 4-methylhepta-1,3,5-triene-1,7-diyl chain.
Synonyms:exact_synonym: 2-(2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-3H-indolium-1-yl)ethanesulfonate
 related_synonym: Formula=C32H38N2O12S4;   InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46);   InChIKey=WKWHOLCUESSZIQ-UHFFFAOYSA-N;   SMILES=CC(\\C=C\\C=C1\\N(CCS(O)(=O)=O)c2ccc(cc2C1(C)C)S(O)(=O)=O)=C/C=C/C1=[N+](CCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S(O)(=O)=O
 xref: Reaxys:21233641
 cyclic_relationship: is_conjugate_acid_of CHEBI:68630


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19758
    chemical entity 19757
      group 19667
        inorganic group 19143
          sulfo group 5638
            organosulfonic acid 5638
              arenesulfonic acid 607
                tetrasulfocyanine acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      chalcogen 19345
                        oxygen atom 19307
                          oxygen molecular entity 19307
                            hydroxides 19062
                              oxoacid 18125
                                chalcogen oxoacid 11421
                                  sulfur oxoacid 11015
                                    sulfonic acid 7273
                                      sulfo group 5638
                                        organosulfonic acid 5638
                                          arenesulfonic acid 607
                                            tetrasulfocyanine acid 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.