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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:4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation
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Accession:CHEBI:76213 term browser browse the term
Definition:An iminium ion consisting of malachite green cation, substituted at the para position of the otherwise unsubstituted phenyl group with a diethylene glycol diamine linker, the terminal amino group of which may form part of a fluorogen activating protein (FAP).
Synonyms:exact_synonym: 4-{[4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)phenyl][4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium
 related_synonym: Formula=C39H55N6O6;   InChI=1S/C39H54N6O6/c1-44(2)33-13-7-30(8-14-33)39(31-9-15-34(16-10-31)45(3)4)32-11-17-35(18-12-32)51-25-5-6-36(46)41-22-23-42-37(47)19-20-38(48)43-24-27-50-29-28-49-26-21-40/h7-18H,5-6,19-29,40H2,1-4H3,(H2-,41,42,43,46,47,48)/p+1;   InChIKey=ZPWCOSMKGXFUAS-UHFFFAOYSA-O;   SMILES=CN(C)c1ccc(cc1)C(c1ccc(OCCCC(=O)NCCNC(=O)CCC(=O)NCCOCCOCCN)cc1)=C1C=CC(C=C1)=[N+](C)C
 xref: PDB:4K3H;   PMID:23978698


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    role 0
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        fluorogen 0
          4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation 0
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  CHEBI ontology 0
    subatomic particle 0
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          baryon 0
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              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                              organic cation 0
                                iminium ion 0
                                  malachite green cation 0
                                    4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation 0
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