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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:4,4'-bis(\{4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl\}amino)stilbene-2,2'-disulfonate
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Accession:CHEBI:50012 term browser browse the term
Definition:An arenesulfonate arising from deprotonation of the sulfo groups of 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid.
Synonyms:exact_synonym: 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
 related_synonym: Formula=C40H42N12O10S2;   InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/p-2;   InChIKey=CNGYZEMWVAWWOB-UHFFFAOYSA-L;   SMILES=[H]C(=C([H])c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O)c1ccc(Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)cc1S([O-])(=O)=O
 cyclic_relationship: is_conjugate_base_of CHEBI:50010



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  CHEBI ontology 497
    chemical entity 497
      atom 497
        nonmetal atom 490
          carbon atom 478
            organic molecular entity 478
              olefinic compound 50
                stilbene 0
                  4,4'-bis(\{4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl\}amino)stilbene-2,2'-disulfonate 0
                    Calcofluor White 0
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  CHEBI ontology 497
    subatomic particle 497
      composite particle 497
        hadron 497
          baryon 497
            nucleon 497
              atomic nucleus 497
                atom 497
                  main group element atom 490
                    p-block element atom 490
                      chalcogen 446
                        oxygen atom 444
                          oxygen molecular entity 444
                            oxide 22
                              oxoanion 13
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    sulfonate 1
                                      organosulfonate oxoanion 1
                                        arenesulfonate oxoanion 0
                                          4,4'-bis(\{4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl\}amino)stilbene-2,2'-disulfonate 0
                                            Calcofluor White 0
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