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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 853
    role 831
      biological role 831
        aetiopathogenetic role 435
          carcinogenic agent 209
            Pontamine sky blue 5B (acid form) 0
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  CHEBI ontology 853
    subatomic particle 838
      composite particle 838
        hadron 838
          baryon 838
            nucleon 838
              atomic nucleus 838
                atom 838
                  main group element atom 826
                    p-block element atom 823
                      chalcogen 793
                        oxygen atom 740
                          oxygen molecular entity 740
                            hydroxides 666
                              oxoacid 296
                                chalcogen oxoacid 54
                                  sulfur oxoacid 45
                                    sulfonic acid 14
                                      sulfo group 3
                                        organosulfonic acid 3
                                          arenesulfonic acid 1
                                            naphthalenesulfonic acid 0
                                              aminonaphthalenesulfonic acid 0
                                                Pontamine sky blue 5B (acid form) 0
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