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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 22307
    chemical entity 22306
      atom 22302
        nonmetal atom 22132
          carbon atom 21924
            organic molecular entity 21924
              olefinic compound 17111
                stilbene 3488
                  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
Path 2
Term Annotations click to browse term
  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22182
                    p-block element atom 22182
                      chalcogen 21515
                        oxygen atom 21493
                          oxygen molecular entity 21493
                            oxide 13513
                              oxoanion 10921
                                chalcogen oxoanion 666
                                  sulfur oxoanion 664
                                    sulfonate 114
                                      organosulfonate oxoanion 114
                                        arenesulfonate oxoanion 3
                                          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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