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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:Evans blue free acid
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Accession:CHEBI:87634 term browser browse the term
Definition:A naphthalenesulfonic acid that is the free acid form of the dye Evans blue. The tetrasodium salt is used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.
Synonyms:exact_synonym: 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
 related_synonym: Evans blue acid;   Evans blue free acid form;   Formula=C34H28N6O14S4;   InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)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);   InChIKey=COXVTLYNGOIATD-UHFFFAOYSA-N;   NSC 8680;   SMILES=Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S(O)(=O)=O)S(O)(=O)=O)c(C)c1
 xref: CAS:6968-33-8;   Reaxys:1838846
 cyclic_relationship: is_conjugate_acid_of CHEBI:87636


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Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        aetiopathogenetic role 19006
          teratogenic agent 15906
            Evans blue free acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      chalcogen 19454
                        oxygen atom 19415
                          oxygen molecular entity 19415
                            hydroxides 19139
                              oxoacid 18273
                                chalcogen oxoacid 11498
                                  sulfur oxoacid 11102
                                    sulfonic acid 7351
                                      sulfo group 5743
                                        organosulfonic acid 5743
                                          arenesulfonic acid 671
                                            naphthalenesulfonic acid 44
                                              Evans blue free acid 0
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