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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 24374
    role 24282
      application 23775
        dye 1313
          cyanine dye 8
            SNIR2 dye 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24374
    subatomic particle 24331
      composite particle 24331
        hadron 24331
          baryon 24331
            nucleon 24331
              atomic nucleus 24331
                atom 24331
                  main group element atom 24177
                    p-block element atom 24177
                      chalcogen 23204
                        oxygen atom 23077
                          oxygen molecular entity 23077
                            oxide 12577
                              oxoanion 9239
                                chalcogen oxoanion 592
                                  sulfur oxoanion 591
                                    sulfonate 28
                                      organosulfonate oxoanion 28
                                        SNIR2(1-) 0
                                          SNIR2 dye 0
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