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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:Reactive Blue 5 quinol form
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Accession:CHEBI:64291 term browser browse the term
Definition:An anthracene that consists of 9,10-dihydroxy-9,10-dihydroanthracene carrying amino, sulfo and [3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino substituents at positions 1, 2 and 4 respectively.
Synonyms:exact_synonym: 1-amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dihydroxy-9,10-dihydroanthracene-2-sulfonic acid
 related_synonym: Formula=C29H24ClN7O11S3;   InChI=1S/C29H24ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,25-26,32,38-39H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);   InChIKey=TWSFSSBSSCLGKM-UHFFFAOYSA-N;   SMILES=Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c2)S(O)(=O)=O)c2C(O)c3ccccc3C(O)c12)S(O)(=O)=O;   reduced Reactive Blue 5
 cyclic_relationship: is_conjugate_acid_of CHEBI:64278


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  CHEBI ontology 19810
    role 19758
      application 19420
        dye 1299
          Reactive Blue 5 quinol form 0
Path 2
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            inorganic hydride 17433
                              pnictogen hydride 17405
                                nitrogen hydride 17247
                                  azane 16964
                                    ammonia 16963
                                      organic amino compound 16962
                                        polyamine 8135
                                          diamine 8063
                                            diamino-1,3,5-triazine 3706
                                              Reactive Blue 5 quinol form 0
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