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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:azocarmine B free acid
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Accession:CHEBI:87217 term browser browse the term
Definition:An organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hydrogen is replaced by a 2,4-disulfophenyl group. The disodium salt is the biological stain 'azocarmine B'.
Synonyms:exact_synonym: 4-[(7-phenyl-3-sulfobenzo[a]phenazin-5-ylidene)amino]benzene-1,3-disulfonic acid
 related_synonym: Formula=C28H19N3O9S3;   InChI=1S/C28H19N3O9S3/c32-41(33,34)18-10-12-20-21(14-18)24(29-23-13-11-19(42(35,36)37)15-27(23)43(38,39)40)16-26-28(20)30-22-8-4-5-9-25(22)31(26)17-6-2-1-3-7-17/h1-16H,(H,32,33,34)(H,35,36,37)(H,38,39,40)/b29-24-;   InChIKey=TUTFTSGRPHVEDD-OLFWJLLRSA-N;   SMILES=OS(=O)(=O)c1ccc(\\N=c2\\cc3n(-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S(O)(=O)=O)c(c1)S(O)(=O)=O
 cyclic_relationship: is_conjugate_acid_of CHEBI:87216


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      atom 5043
        nonmetal atom 5006
          carbon atom 4954
            organic molecular entity 4926
              imine 0
                azocarmine B free acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      chalcogen 4915
                        oxygen atom 4910
                          oxygen molecular entity 4883
                            hydroxides 4835
                              oxoacid 403
                                chalcogen oxoacid 79
                                  sulfur oxoacid 63
                                    sulfonic acid 32
                                      sulfo group 23
                                        organosulfonic acid 23
                                          arenesulfonic acid 1
                                            azocarmine B free acid 0
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