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CHEBI:76213 - 4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation

ChEBI IDCHEBI:76213
ChEBI Name4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation
Stars
DefinitionAn 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).
Last Modified6 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H55N6O6
Net Charge+1
Average Mass703.905
Monoisotopic Mass703.41776
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(OCCCC(=O)NCCNC(=O)CCC(=O)NCCOCCOCCN)cc2)cc1
InChIInChI=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
InChIKeyZPWCOSMKGXFUAS-UHFFFAOYSA-O
Roles Classification
Biological Role:
fluorogen  A non-fluorescent small compound which become fluorescent only when complexed to a fluorogen activating protein (FAP).
ChEBI Ontology
Outgoing Relation(s)
4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation (CHEBI:76213) has functional parent malachite green cation (CHEBI:44107)
4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation (CHEBI:76213) has role fluorogen (CHEBI:76219)
4-(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yloxy)-malachite green cation (CHEBI:76213) is a iminium ion (CHEBI:35286)
IUPAC Name 
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
Manual XrefsDatabases
4K3HPDB
Citations