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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:benzo scarlet 4BNS(3-)
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Accession:CHEBI:87470 term browser browse the term
Definition:An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of benzo scarlet 4BNS free acid.
Synonyms:exact_synonym: 4-hydroxy-7-[({5-hydroxy-6-[(3-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl}carbamoyl)amino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
 related_synonym: Formula=C38H25N6O13S3;   InChI=1S/C38H28N6O13S3/c1-57-28-4-2-3-26(19-28)41-43-34-32(59(51,52)53)17-22-14-24(8-11-30(22)36(34)45)39-38(47)40-25-9-12-31-23(15-25)18-33(60(54,55)56)35(37(31)46)44-42-27-7-5-21-16-29(58(48,49)50)10-6-20(21)13-27/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-3;   InChIKey=LKEXMQMWPUWGCE-UHFFFAOYSA-K;   SMILES=COc1cccc(c1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(ccc6c5)S([O-])(=O)=O)c(cc4c3)S([O-])(=O)=O)cc2cc1S([O-])(=O)=O;   benzo scarlet 4BNS anion;   benzo scarlet 4BNS trianion
 cyclic_relationship: is_conjugate_base_of CHEBI:87469


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      molecular entity 19767
        ion 15857
          organic ion 8311
            organic anion 2998
              organosulfonate oxoanion 28
                benzo scarlet 4BNS(3-) 0
                  benzo scarlet 4BNS 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    main group molecular entity 19655
                      p-block molecular entity 19655
                        chalcogen molecular entity 19359
                          oxygen molecular entity 19320
                            oxide 11430
                              oxoanion 8428
                                chalcogen oxoanion 530
                                  sulfur oxoanion 529
                                    sulfonate 28
                                      organosulfonate oxoanion 28
                                        benzo scarlet 4BNS(3-) 0
                                          benzo scarlet 4BNS 0
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