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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:CholEsteryl BODIPY 542/563 C11
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Accession:CHEBI:141516 term browser browse the term
Definition:A BODIPY dye in which the 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene skeleton is substituted at position 5 by a p-methoxyphenyl group and at position 3 by an 11-[(3beta)-cholest-5-en-3-yloxy]-11-oxoundecyl group. An orange-red BODIPY dye.
Synonyms:exact_synonym: [(3beta)-cholest-5-en-3-yl 11-(5-{[5-(4-methoxyphenyl)-2H-pyrrol-2-ylidene-kappaN]methyl}-1H-pyrrol-2-yl-kappaN)undecanoatato](difluoro)boron
 related_synonym: CE11-BODIPY;   Formula=C54H77BF2N2O3;   InChI=1S/C54H77BF2N2O3/c1-38(2)16-15-17-39(3)48-29-30-49-47-28-22-41-36-46(32-34-53(41,4)50(47)33-35-54(48,49)5)62-52(60)19-14-12-10-8-7-9-11-13-18-42-23-24-43-37-44-25-31-51(59(44)55(56,57)58(42)43)40-20-26-45(61-6)27-21-40/h20-27,31,37-39,46-50H,7-19,28-30,32-36H2,1-6H3/t39-,46+,47+,48-,49+,50+,53+,54-/m1/s1;   InChIKey=LNQPBCQHFFFEBZ-QMELCRKVSA-N;   SMILES=C(CCCCCCCCCC(O[C@@H]1CC=2[C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])(C)CC1)=O)C=5N6[B-]([N+]7=C(C=CC7=CC6=CC5)C=8C=CC(=CC8)OC)(F)F;   [cholest-5-en-3beta-yl 11-(5-{[5-(4-methoxyphenyl)-2H-pyrrol-2-ylidene-kappaN]methyl}-1H-pyrrol-2-yl-kappaN)undecanoatato](difluoro)boron;   cholesteryl 4,4-difluoro-5-(4-methoxyphenyl)-4-bora-3a,4a-diaza-s-indacene-3-undecanoate
 xref: CAS:151911-45-4


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        dye 2975
          BODIPY dye 0
            CholEsteryl BODIPY 542/563 C11 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic polycyclic compound 17245
                                  steroid 14689
                                    hydroxy steroid 14434
                                      3-hydroxy steroid 12772
                                        3beta-hydroxy steroid 2533
                                          3beta-hydroxy-Delta(5)-steroid 2365
                                            cholesterol 346
                                              cholesteryl ester 2
                                                CholEsteryl BODIPY 542/563 C11 0
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