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ONTOLOGY REPORT - ANNOTATIONS


Term:Pontamine sky blue 5B (acid form)
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Accession:CHEBI:88195 term browser browse the term
Definition:A ring assembly consisting of two 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid units joined by a 4,4'-linkage. The tetrasodium salt is the histological dye 'Pontamine sky blue 5B'.
Synonyms:exact_synonym: 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)
 related_synonym: C.I. Direct Blue 15 (acid form);   C.I. Direct Blue 15 free acid;   Formula=C34H28N6O16S4;   InChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+;   InChIKey=KIZIRROTJQVUGJ-HVMBLDELSA-N;   Pontamine sky blue 5B free acid;   SMILES=C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3OC)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(O)(=O)=O)N)S(O)(=O)=O)OC)S(O)(=O)=O)C=C(C=C2N)S(O)(=O)=O
 xref: Reaxys:740802
 cyclic_relationship: is_conjugate_acid_of CHEBI:88196


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  CHEBI ontology 21322
    role 21309
      biological role 21307
        aetiopathogenetic role 20208
          carcinogenic agent 18461
            Pontamine sky blue 5B (acid form) 0
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  CHEBI ontology 21322
    subatomic particle 21318
      composite particle 21318
        hadron 21318
          baryon 21318
            nucleon 21318
              atomic nucleus 21318
                atom 21318
                  main group element atom 21193
                    p-block element atom 21193
                      chalcogen 20259
                        oxygen atom 20234
                          oxygen molecular entity 20234
                            hydroxides 19852
                              oxoacid 19158
                                chalcogen oxoacid 11825
                                  sulfur oxoacid 11421
                                    sulfonic acid 7424
                                      sulfo group 5758
                                        organosulfonic acid 5758
                                          arenesulfonic acid 710
                                            naphthalenesulfonic acid 43
                                              aminonaphthalenesulfonic acid 0
                                                Pontamine sky blue 5B (acid form) 0
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