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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:BODIPY TMR-X
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Accession:CHEBI:51891 term browser browse the term
Definition:A BODIPY dye that has formula C31H35BF2N4O6.
Synonyms:exact_synonym: [N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3-(2-{[5-(4-methoxyphenyl)-1H-pyrrol-2-yl-kappaN]methylene}-3,5-dimethyl-2H-pyrrol-4-yl-kappaN)propanamidato](difluoro)boron
 related_synonym: 6-((4,4-difluoro-1,3-dimethyl-5-(4-methoxyphenyl)-4- bora-3a,4a-diaza-s-indacene-2-propionyl)amino)hexanoic acid, succinimidyl ester;   Formula=C31H35BF2N4O6;   InChI=1S/C31H35BF2N4O6/c1-20-25(13-15-28(39)35-18-6-4-5-7-31(42)44-38-29(40)16-17-30(38)41)21(2)36-27(20)19-23-10-14-26(37(23)32(36,33)34)22-8-11-24(43-3)12-9-22/h8-12,14,19H,4-7,13,15-18H2,1-3H3,(H,35,39);   InChIKey=GRDQURHVJJVDRY-UHFFFAOYSA-N;   SMILES=COc1ccc(cc1)-c1ccc2C=C3C(C)=C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C(C)=[N+]3[B-](F)(F)n12



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Term Annotations click to browse term
  CHEBI ontology 22188
    role 22173
      application 21755
        dye 2967
          BODIPY dye 0
            BODIPY TMR-X 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      carbon group element atom 21915
                        carbon atom 21840
                          organic molecular entity 21840
                            organic molecule 21654
                              organic cyclic compound 21259
                                organic heterocyclic compound 20336
                                  organonitrogen heterocyclic compound 19092
                                    polypyrrole 705
                                      dipyrrole 1
                                        dipyrrins 1
                                          4-bora-3a,4a-diaza-s-indacene 1
                                            BODIPY compound 1
                                              4,4-difluoro-4-bora-3a,4a-diaza-s-indacene 1
                                                BODIPY TMR-X 0
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