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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 24141
    role 24034
      biological role 24000
        aetiopathogenetic role 22561
          carcinogenic agent 20563
            Pontamine sky blue 5B (acid form) 0
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  CHEBI ontology 24141
    subatomic particle 24095
      composite particle 24095
        hadron 24095
          baryon 24095
            nucleon 24095
              atomic nucleus 24095
                atom 24095
                  main group element atom 23924
                    p-block element atom 23924
                      chalcogen 23117
                        oxygen atom 22988
                          oxygen molecular entity 22988
                            hydroxides 22230
                              oxoacid 21339
                                chalcogen oxoacid 12194
                                  sulfur oxoacid 11753
                                    sulfonic acid 7651
                                      sulfo group 5982
                                        organosulfonic acid 5982
                                          arenesulfonic acid 687
                                            naphthalenesulfonic acid 44
                                              aminonaphthalenesulfonic acid 0
                                                Pontamine sky blue 5B (acid form) 0
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