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CHEBI:52041 - DY-520XL

ChEBI IDCHEBI:52041
ChEBI NameDY-520XL
Stars
DefinitionAn iminium betaine that consists of 4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridine-3-sulfonate carryiing a 5-carboxypentyl substituent on the pyridine nitrogen.
Last Modified5 December 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC26H30N2O7S
Net Charge0
Average Mass514.600
Monoisotopic Mass514.17737
SMILES[H]C(=C([H])c1cc2ccc(N(CC)CC)cc2oc1=O)c1cc[n+](CCCCCC(=O)O)cc1S(=O)(=O)[O-]
InChIInChI=1S/C26H30N2O7S/c1-3-28(4-2)22-12-11-20-16-21(26(31)35-23(20)17-22)10-9-19-13-15-27(18-24(19)36(32,33)34)14-7-5-6-8-25(29)30/h9-13,15-18H,3-8,14H2,1-2H3,(H-,29,30,32,33,34)
InChIKeyITOJDWVAIOLCMZ-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-520XL (CHEBI:52041) has role fluorochrome (CHEBI:51217)
DY-520XL (CHEBI:52041) is a aminochromene (CHEBI:38676)
DY-520XL (CHEBI:52041) is a iminium betaine (CHEBI:35285)
IUPAC Name 
1-(5-carboxypentyl)-4-{2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethenyl}pyridinium-3-sulfonate