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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:SNIR2 dye
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Accession:CHEBI:52264 term browser browse the term
Definition:An organic potassium salt that has formula C36H37IKN3O7S2.
Synonyms:exact_synonym: potassium (2E)-3-ethyl-2-[(2E,4E,6E)-7-{5-[(iodoacetyl)amino]-1,3,3-trimethyl-3H-indolium-2-yl}hepta-2,4,6-trien-1-ylidene]-1,1-dimethyl-2,3-dihydro-1H-benzo[e]indole-6,8-disulfonate;   potassium 3-ethyl-2-[(1E,3E,5E,7Z)-7-{5-[(iodoacetyl)amino]-1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene}hepta-1,3,5-trien-1-yl]-1,1-dimethyl-1H-benzo[e]indolium-6,8-disulfonate
 related_synonym: Formula=C36H37IKN3O7S2;   InChI=1S/C36H38IN3O7S2.K/c1-7-40-29-18-16-25-26(20-24(48(42,43)44)21-30(25)49(45,46)47)34(29)36(4,5)32(40)14-12-10-8-9-11-13-31-35(2,3)27-19-23(38-33(41)22-37)15-17-28(27)39(31)6;/h8-21H,7,22H2,1-6H3,(H2-,38,41,42,43,44,45,46,47);/q;+1/p-1;   InChIKey=PKNBXWHQZPZFHP-UHFFFAOYSA-M;   SMILES=[K+].CC[N+]1=C(/C=C/C=C/C=C/C=C2\\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(cc(cc21)S([O-])(=O)=O)S([O-])(=O)=O;   SNIR2


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  CHEBI ontology 227
    role 227
      application 195
        dye 6
          cyanine dye 0
            SNIR2 dye 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 227
    subatomic particle 227
      composite particle 227
        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  main group element atom 220
                    p-block element atom 220
                      chalcogen 187
                        oxygen atom 185
                          oxygen molecular entity 185
                            oxide 15
                              oxoanion 6
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    sulfonate 1
                                      organosulfonate oxoanion 1
                                        SNIR2(1-) 0
                                          SNIR2 dye 0
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