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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 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:88196


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  CHEBI ontology 19748
    role 19695
      biological role 19693
        aetiopathogenetic role 18796
          carcinogenic agent 17779
            Pontamine sky blue 5B (acid form) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      chalcogen 19337
                        oxygen atom 19298
                          oxygen molecular entity 19298
                            hydroxides 19053
                              oxoacid 18117
                                chalcogen oxoacid 11406
                                  sulfur oxoacid 10998
                                    sulfonic acid 7254
                                      sulfo group 5630
                                        organosulfonic acid 5630
                                          arenesulfonic acid 602
                                            naphthalenesulfonic acid 44
                                              aminonaphthalenesulfonic acid 0
                                                Pontamine sky blue 5B (acid form) 0
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