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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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  CHEBI ontology 22178
    role 22194
      biological role 22162
        aetiopathogenetic role 21266
          teratogenic agent 16626
            Evans blue free acid 0
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  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      chalcogen 21431
                        oxygen atom 21437
                          oxygen molecular entity 21409
                            hydroxides 20789
                              oxoacid 20101
                                chalcogen oxoacid 14366
                                  sulfur oxoacid 14151
                                    sulfonic acid 11992
                                      sulfo group 10345
                                        organosulfonic acid 10345
                                          arenesulfonic acid 727
                                            naphthalenesulfonic acid 47
                                              Evans blue free acid 0
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