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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:Dig-Cy5
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Accession:CHEBI:72459 term browser browse the term
Definition:A cyanine conjugate in which digitoxigenin is connected to Cy5 via a 6-[(2-acetamidoethyl)amino]-6-oxohexyl linker.
Synonyms:exact_synonym: 3beta-[2-({2-[(6-{(2Z)-2-[(2E,4E)-5-(1-ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoyl)amino]ethyl}amino)-2-oxoethoxy]-12beta,14-dihydroxy-5beta-card-20(22)-enolide
 related_synonym: Formula=C60H82N4O13S2;   InChI=1S/C60H82N4O13S2/c1-8-63-48-22-19-41(78(70,71)72)33-46(48)56(2,3)50(63)15-11-9-12-16-51-57(4,5)47-34-42(79(73,74)75)20-23-49(47)64(51)30-14-10-13-17-53(66)61-28-29-62-54(67)37-76-40-24-26-58(6)39(32-40)18-21-44-45(58)35-52(65)59(7)43(25-27-60(44,59)69)38-31-55(68)77-36-38/h9,11-12,15-16,19-20,22-23,31,33-34,39-40,43-45,50,52,65,69H,8,10,13-14,17-18,21,24-30,32,35-37H2,1-7H3,(H,61,66)(H,62,67)(H,70,71,72)(H,73,74,75)/b12-9+,15-11+,51-16-/t39-,40+,43-,44-,45+,50?,52-,58+,59+,60+/m1/s1;   InChIKey=OIGBGGFDMZZJOF-WNOAWAAYSA-N;   SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)OCC(=O)NCCNC(=O)CCCCCN1c2ccc(cc2C(C)(C)\\C1=C\\C=C\\C=C\\C1N(CC)c2ccc(cc2C1(C)C)S(O)(=O)=O)S(O)(=O)=O;   digoxigeninylated Cy5;   digoxigenylated Cy5
 xref: PMID:21536919


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        epitope 7188
          Dig-Cy5 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19606
                                    carboxylic acid 19602
                                      carboacyl group 18299
                                        univalent carboacyl group 18299
                                          carbamoyl group 18110
                                            carboxamide 18110
                                              monocarboxylic acid amide 15837
                                                Dig-Cy5 0
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