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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Pontamine sky blue 5B
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Accession:CHEBI:82305 term browser browse the term
Definition:An organic sodium salt resulting from the formal condensation of Pontamine sky blue 5B (acid form) with four equivalents of sodium hydroxide.
Synonyms:exact_synonym: tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)
 related_synonym: C.I. 24400;   C.I. Direct Blue 15, tetrasodium salt;   CI Direct Blue 15;   Chicago blue 4B;   Formula=C34H24N6Na4O16S4;   InChI=1S/C34H28N6O16S4.4Na/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);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;;   InChIKey=OLSOUGWNONTDCK-GPTZEZBUSA-J;   SMILES=[Na+].[Na+].[Na+].[Na+].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;   Tetrasodium 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate)
 xref: CAS:2429-74-5;   KEGG:C19213;   PMID:12637962;   PMID:8207858;   Reaxys:3660005


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  CHEBI ontology 494
    role 501
      biological role 494
        aetiopathogenetic role 392
          carcinogenic agent 31
            Pontamine sky blue 5B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      chalcogen 445
                        oxygen atom 448
                          oxygen molecular entity 443
                            oxide 22
                              oxoanion 13
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    sulfonate 1
                                      organosulfonate oxoanion 1
                                        Pontamine sky blue 5B(4-) 0
                                          Pontamine sky blue 5B 0
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