EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76174 - 4-[(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yl)oxy]malachite green cation

ChEBI IDCHEBI:76174
ChEBI Name4-[(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yl)oxy]malachite green cation
Stars
Last Modified1 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H55N6O6
Net Charge+1
Average Mass703.905
Monoisotopic Mass703.41776
SMILESCN(C)c1ccc([C+](c2ccc(OCCCC(=O)NCCNC(=O)CCC(=O)NCCOCCOCCN)cc2)c2ccc(N(C)C)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
ChEBI Ontology
Outgoing Relation(s)
4-[(21-amino-4,9,12-trioxo-16,19-dioxa-5,8,13-triazahenicos-1-yl)oxy]malachite green cation (CHEBI:76174) is a organic cation (CHEBI:25697)