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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:Calcofluor White
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Accession:CHEBI:50011 term browser browse the term
Definition:An organic sodium salt that has formula C40H42N12Na2O10S2.
Synonyms:exact_synonym: disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
 related_synonym: 4,4'-bis((2-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-6-yl)amino)stilbene-2,2'-disulfonic acid, disodium salt;   4,4'-bis((4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, disodium salt;   C.I. 40622;   C.I. Fluorescent Brightening Agent 28, disodium salt;   Calcofluor White LRP;   Calcofluor White M 2R;   Calcofluor White ST;   Cellufluor;   Fluorescent Brightener 28;   Formula=C40H42N12Na2O10S2;   InChI=1S/C40H44N12O10S2.2Na/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);;/q;2*+1/p-2;   InChIKey=YJHDFAAFYNRKQE-UHFFFAOYSA-L;   SMILES=[Na+].[Na+].[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;   disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
 xref: Beilstein:8385272;   CAS:4193-55-9



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      molecular entity 19895
        ion 17104
          anion 16665
            salt 16312
              organic salt 3330
                organic sodium salt 1379
                  Calcofluor White 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      chalcogen 19587
                        oxygen atom 19559
                          oxygen molecular entity 19559
                            oxide 12887
                              oxoanion 10465
                                chalcogen oxoanion 658
                                  sulfur oxoanion 656
                                    sulfonate 112
                                      organosulfonate oxoanion 112
                                        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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